Daily Papers

Autoregressive language models rely on a Key-Value (KV) Cache, which avoids re-computing past hidden states during generation, making it faster. As model sizes and context lengths grow, the KV Cache becomes a significant memory bottleneck, which calls for compression methods that limit its size during generation. In this paper, we discover surprising properties of Query (Q) and Key (K) vectors that allow us to efficiently approximate attention scores without computing the attention maps. We propose Q-Filters, a training-free KV Cache compression method that filters out less crucial Key-Value pairs based on a single context-agnostic projection. Contrarily to many alternatives, Q-Filters is compatible with FlashAttention, as it does not require direct access to attention weights. Experimental results in long-context settings demonstrate that Q-Filters is competitive with attention-based compression methods such as SnapKV in retrieval tasks while consistently outperforming efficient compression schemes such as Streaming-LLM in generation setups. Notably, Q-Filters achieves a 99% accuracy in the needle-in-a-haystack task with a x32 compression level while reducing the generation perplexity drop by up to 65% in text generation compared to Streaming-LLM.

Large Vision-Language Models (LVLMs) incur high computational costs due to significant redundancy in their visual tokens. To effectively reduce this cost, researchers have proposed various visual token pruning methods. However, existing methods are generally limited, either losing critical visual information prematurely due to pruning in the vision encoder, or leading to information redundancy among the selected tokens due to pruning in the Large Language Models (LLMs). To address these challenges, we propose a Visual and Textual Semantic Collaborative Pruning framework (ViTCoP) that combines redundancy filtering in the vision encoder with step-wise co-pruning within the LLM based on its hierarchical characteristics, to efficiently preserve critical and informationally diverse visual tokens. Meanwhile, to ensure compatibility with acceleration techniques like FlashAttention, we introduce the L2 norm of K-vectors as the token saliency metric in the LLM. Extensive experiments on various Large Vision-Language Models demonstrate that ViTCoP not only achieves state-of-the-art performance surpassing existing methods on both image and video understanding tasks, but also significantly reduces model inference latency and GPU memory consumption. Notably, its performance advantage over other methods becomes even more pronounced under extreme pruning rates.

Large Language Models (LLMs) have achieved remarkable success but face significant computational and memory challenges, particularly due to their extensive output vocabularies. The final linear projection layer, mapping hidden states to vocabulary-sized logits, often constitutes a substantial portion of the model's parameters and computational cost during inference. Existing methods like adaptive softmax or hierarchical softmax introduce structural complexities. In this paper, we propose VQ-Logits, a novel approach that leverages Vector Quantization (VQ) to drastically reduce the parameter count and computational load of the LLM output layer. VQ-Logits replaces the large V * dmodel output embedding matrix with a small, shared codebook of K embedding vectors (K << V ). Each token in the vocabulary is mapped to one of these K codebook vectors. The LLM predicts logits over this compact codebook, which are then efficiently "scattered" to the full vocabulary space using the learned or preassigned mapping. We demonstrate through extensive experiments on standard language modeling benchmarks (e.g., WikiText-103, C4) that VQ-Logits can achieve up to 99% parameter reduction in the output layer and 6x speedup in logit computation, with only a marginal 4% increase in perplexity compared to full softmax baselines. We further provide detailed ablation studies on codebook size, initialization, and learning strategies, showcasing the robustness and effectiveness of our approach.

Vector databases typically rely on approximate nearest neighbor (ANN) search to retrieve the top-k closest vectors to a query in embedding space. While effective, this approach often yields semantically redundant results, missing the diversity and contextual richness required by applications such as retrieval-augmented generation (RAG), multi-hop QA, and memory-augmented agents. We introduce a new retrieval paradigm: semantic compression, which aims to select a compact, representative set of vectors that captures the broader semantic structure around a query. We formalize this objective using principles from submodular optimization and information geometry, and show that it generalizes traditional top-k retrieval by prioritizing coverage and diversity. To operationalize this idea, we propose graph-augmented vector retrieval, which overlays semantic graphs (e.g., kNN or knowledge-based links) atop vector spaces to enable multi-hop, context-aware search. We theoretically analyze the limitations of proximity-based retrieval under high-dimensional concentration and highlight how graph structures can improve semantic coverage. Our work outlines a foundation for meaning-centric vector search systems, emphasizing hybrid indexing, diversity-aware querying, and structured semantic retrieval. We make our implementation publicly available to foster future research in this area.

In the era of large foundation models, the quality of embeddings has become a central determinant of downstream task performance and overall system capability. Yet widely used dense embeddings are often extremely high-dimensional, incurring substantial costs in storage, memory, and inference latency. To address these, Contrastive Sparse Representation (CSR) is recently proposed as a promising direction, mapping dense embeddings into high-dimensional but k-sparse vectors, in contrast to compact dense embeddings such as Matryoshka Representation Learning (MRL). Despite its promise, CSR suffers severe degradation in the ultra-sparse regime, where over 80% of neurons remain inactive, leaving much of its efficiency potential unrealized. In this paper, we introduce CSRv2, a principled training approach designed to make ultra-sparse embeddings viable. CSRv2 stabilizes sparsity learning through progressive k-annealing, enhances representational quality via supervised contrastive objectives, and ensures end-to-end adaptability with full backbone finetuning. CSRv2 reduces dead neurons from 80% to 20% and delivers a 14% accuracy gain at k=2, bringing ultra-sparse embeddings on par with CSR at k=8 and MRL at 32 dimensions, all with only two active features. While maintaining comparable performance, CSRv2 delivers a 7x speedup over MRL, and yields up to 300x improvements in compute and memory efficiency relative to dense embeddings in text representation. Extensive experiments across text and vision demonstrate that CSRv2 makes ultra-sparse embeddings practical without compromising performance, where CSRv2 achieves 7%/4% improvement over CSR when k=4 and further increases this gap to 14%/6% when k=2 in text/vision representation. By making extreme sparsity viable, CSRv2 broadens the design space for real-time and edge-deployable AI systems where both embedding quality and efficiency are critical.

Vector space word representations are learned from distributional information of words in large corpora. Although such statistics are semantically informative, they disregard the valuable information that is contained in semantic lexicons such as WordNet, FrameNet, and the Paraphrase Database. This paper proposes a method for refining vector space representations using relational information from semantic lexicons by encouraging linked words to have similar vector representations, and it makes no assumptions about how the input vectors were constructed. Evaluated on a battery of standard lexical semantic evaluation tasks in several languages, we obtain substantial improvements starting with a variety of word vector models. Our refinement method outperforms prior techniques for incorporating semantic lexicons into the word vector training algorithms.

Spherical k-Means is frequently used to cluster document collections because it performs reasonably well in many settings and is computationally efficient. However, the time complexity increases linearly with the number of clusters k, which limits the suitability of the algorithm for larger values of k depending on the size of the collection. Optimizations targeted at the Euclidean k-Means algorithm largely do not apply because the cosine distance is not a metric. We therefore propose an efficient indexing structure to improve the scalability of Spherical k-Means with respect to k. Our approach exploits the sparsity of the input vectors and the convergence behavior of k-Means to reduce the number of comparisons on each iteration significantly.

We propose Equiangular Basis Vectors (EBVs) for classification tasks. In deep neural networks, models usually end with a k-way fully connected layer with softmax to handle different classification tasks. The learning objective of these methods can be summarized as mapping the learned feature representations to the samples' label space. While in metric learning approaches, the main objective is to learn a transformation function that maps training data points from the original space to a new space where similar points are closer while dissimilar points become farther apart. Different from previous methods, our EBVs generate normalized vector embeddings as "predefined classifiers" which are required to not only be with the equal status between each other, but also be as orthogonal as possible. By minimizing the spherical distance of the embedding of an input between its categorical EBV in training, the predictions can be obtained by identifying the categorical EBV with the smallest distance during inference. Various experiments on the ImageNet-1K dataset and other downstream tasks demonstrate that our method outperforms the general fully connected classifier while it does not introduce huge additional computation compared with classical metric learning methods. Our EBVs won the first place in the 2022 DIGIX Global AI Challenge, and our code is open-source and available at https://github.com/NJUST-VIPGroup/Equiangular-Basis-Vectors.

To adapt a well-trained large model to downstream tasks, we propose constraining learning within its original latent space by leveraging linear combinations of its basis vectors. This approach ensures stable training without compromising the model's capabilities. Traditionally, constructing orthonormal bases from a matrix requires a transfer matrix, which significantly increases storage and computational overhead for parameters and feature maps. In this paper, we introduce Absorb and Decompose for Q, K, V, and O matrices, enabling their orthogonalization without the need for transfer matrices. Furthermore, the Absorb-Decompose operation eliminates redundant vectors, reducing the encoder attention parameters of Whisper-large-v3 by 46.42% without requiring additional training. For parameter-efficient and stable fine-tuning, we orthonormalized Q, K, V, and O and fine-tuned only the singular values, allowing efficient adaptation while constraining changes to the original latent space. When fine-tuning LLaMA-2-7B on eight commonsense reasoning datasets, our method outperforms LoRA by 5.4% and DoRA by 4.4%.

In Transformer language models, activation vectors transform from current token embeddings to next token predictions as they pass through the model. To isolate a minimal form of this transformation, we identify language model subnetworks that make bigram predictions, naive next token predictions based only on the current token. We find that bigram subnetworks can be found in fully trained language models up to 1B parameters, and these subnetworks are critical for model performance even when they consist of less than 0.2% of model parameters. Bigram subnetworks are concentrated in the first Transformer MLP layer, and they overlap significantly with subnetworks trained to optimally prune a given model. Mechanistically, the bigram subnetworks often recreate a pattern from the full models where the first layer induces a sharp change that aligns activations with next token predictions rather than current token representations. Our results demonstrate that bigram subnetworks comprise a minimal subset of parameters that are both necessary and sufficient for basic next token predictions in language models, and they help drive the transformation from current to next token activations in the residual stream. These subnetworks can lay a foundation for studying language model circuits by building up from a minimal circuit rather than the traditional approach of ablating circuits from a full model.

Object-centric architectures usually apply a differentiable module to the entire feature map to decompose it into sets of entity representations called slots. Some of these methods structurally resemble clustering algorithms, where the cluster's center in latent space serves as a slot representation. Slot Attention is an example of such a method, acting as a learnable analog of the soft k-means algorithm. Our work employs a learnable clustering method based on the Gaussian Mixture Model. Unlike other approaches, we represent slots not only as centers of clusters but also incorporate information about the distance between clusters and assigned vectors, leading to more expressive slot representations. Our experiments demonstrate that using this approach instead of Slot Attention improves performance in object-centric scenarios, achieving state-of-the-art results in the set property prediction task.

Interpretability is a key challenge in fostering trust for Large Language Models (LLMs), which stems from the complexity of extracting reasoning from model's parameters. We present the Frame Representation Hypothesis, a theoretically robust framework grounded in the Linear Representation Hypothesis (LRH) to interpret and control LLMs by modeling multi-token words. Prior research explored LRH to connect LLM representations with linguistic concepts, but was limited to single token analysis. As most words are composed of several tokens, we extend LRH to multi-token words, thereby enabling usage on any textual data with thousands of concepts. To this end, we propose words can be interpreted as frames, ordered sequences of vectors that better capture token-word relationships. Then, concepts can be represented as the average of word frames sharing a common concept. We showcase these tools through Top-k Concept-Guided Decoding, which can intuitively steer text generation using concepts of choice. We verify said ideas on Llama 3.1, Gemma 2, and Phi 3 families, demonstrating gender and language biases, exposing harmful content, but also potential to remediate them, leading to safer and more transparent LLMs. Code is available at https://github.com/phvv-me/frame-representation-hypothesis.git

Kolmogorov-Arnold Networks (KANs) replace scalar weights with per-edge vectors of basis coefficients, thereby boosting expressivity and accuracy but at the same time resulting in a multiplicative increase in parameters and memory. We propose MetaCluster, a framework that makes KANs highly compressible without sacrificing accuracy. Specifically, a lightweight meta-learner, trained jointly with the KAN, is used to map low-dimensional embedding to coefficient vectors, shaping them to lie on a low-dimensional manifold that is amenable to clustering. We then run K-means in coefficient space and replace per-edge vectors with shared centroids. Afterwards, the meta-learner can be discarded, and a brief fine-tuning of the centroid codebook recovers any residual accuracy loss. The resulting model stores only a small codebook and per-edge indices, exploiting the vector nature of KAN parameters to amortize storage across multiple coefficients. On MNIST, CIFAR-10, and CIFAR-100, across standard KANs and ConvKANs using multiple basis functions, MetaCluster achieves a reduction of up to 80times in parameter storage, with no loss in accuracy. Code will be released upon publication.

This paper presents a novel Kinematics and Trajectory Prior Knowledge-Enhanced Transformer (KTPFormer), which overcomes the weakness in existing transformer-based methods for 3D human pose estimation that the derivation of Q, K, V vectors in their self-attention mechanisms are all based on simple linear mapping. We propose two prior attention modules, namely Kinematics Prior Attention (KPA) and Trajectory Prior Attention (TPA) to take advantage of the known anatomical structure of the human body and motion trajectory information, to facilitate effective learning of global dependencies and features in the multi-head self-attention. KPA models kinematic relationships in the human body by constructing a topology of kinematics, while TPA builds a trajectory topology to learn the information of joint motion trajectory across frames. Yielding Q, K, V vectors with prior knowledge, the two modules enable KTPFormer to model both spatial and temporal correlations simultaneously. Extensive experiments on three benchmarks (Human3.6M, MPI-INF-3DHP and HumanEva) show that KTPFormer achieves superior performance in comparison to state-of-the-art methods. More importantly, our KPA and TPA modules have lightweight plug-and-play designs and can be integrated into various transformer-based networks (i.e., diffusion-based) to improve the performance with only a very small increase in the computational overhead. The code is available at: https://github.com/JihuaPeng/KTPFormer.

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

Language models generate responses by producing a series of tokens in immediate succession: the (K+1)^{th} token is an outcome of manipulating K hidden vectors per layer, one vector per preceding token. What if instead we were to let the model manipulate say, K+10 hidden vectors, before it outputs the (K+1)^{th} token? We operationalize this idea by performing training and inference on language models with a (learnable) pause token, a sequence of which is appended to the input prefix. We then delay extracting the model's outputs until the last pause token is seen, thereby allowing the model to process extra computation before committing to an answer. We empirically evaluate pause-training on decoder-only models of 1B and 130M parameters with causal pretraining on C4, and on downstream tasks covering reasoning, question-answering, general understanding and fact recall. Our main finding is that inference-time delays show gains when the model is both pre-trained and finetuned with delays. For the 1B model, we witness gains on 8 of 9 tasks, most prominently, a gain of 18% EM score on the QA task of SQuAD, 8% on CommonSenseQA and 1% accuracy on the reasoning task of GSM8k. Our work raises a range of conceptual and practical future research questions on making delayed next-token prediction a widely applicable new paradigm.

Pairs of similar compounds that only differ by a small structural modification but exhibit a large difference in their binding affinity for a given target are known as activity cliffs (ACs). It has been hypothesised that quantitative structure-activity relationship (QSAR) models struggle to predict ACs and that ACs thus form a major source of prediction error. However, a study to explore the AC-prediction power of modern QSAR methods and its relationship to general QSAR-prediction performance is lacking. We systematically construct nine distinct QSAR models by combining three molecular representation methods (extended-connectivity fingerprints, physicochemical-descriptor vectors and graph isomorphism networks) with three regression techniques (random forests, k-nearest neighbours and multilayer perceptrons); we then use each resulting model to classify pairs of similar compounds as ACs or non-ACs and to predict the activities of individual molecules in three case studies: dopamine receptor D2, factor Xa, and SARS-CoV-2 main protease. We observe low AC-sensitivity amongst the tested models when the activities of both compounds are unknown, but a substantial increase in AC-sensitivity when the actual activity of one of the compounds is given. Graph isomorphism features are found to be competitive with or superior to classical molecular representations for AC-classification and can thus be employed as baseline AC-prediction models or simple compound-optimisation tools. For general QSAR-prediction, however, extended-connectivity fingerprints still consistently deliver the best performance. Our results provide strong support for the hypothesis that indeed QSAR methods frequently fail to predict ACs. We propose twin-network training for deep learning models as a potential future pathway to increase AC-sensitivity and thus overall QSAR performance.

Mixture of Experts (MoE) models scale capacity but often suffer from representation collapse and gradient instability. We propose Dynamic Subspace Composition (DSC), a framework that approximates context-dependent weights via a state-dependent, sparse expansion of a shared basis bank. Formally, DSC models the weight update as a residual trajectory within a Star- Shaped Domain, employing a Magnitude-Gated Simplex Interpolation to ensure continuity at the identity. Unlike standard Mixture-of-LoRAs, which incurs O(M rd) parameter complexity by retrieving independent rank-r matrices, DSC constructs a compositional rank-K approximation from decoupled unit-norm basis vectors. This reduces parameter complexity to O(M d) and memory traffic to O(Kd), while Frame-Theoretic regularization and spectral constraints provide rigorous worst-case bounds on the dynamic update. The code is available at https://github. com/VladimerKhasia/DSC

We report a quasi-one-dimensional S = 1 spin chain compound BaNiTe2O7. This magnetic system has been investigated by magnetic susceptibility, specific heat, and neutron powder diffraction. These results indicate that BaNiTe2O7 develops a short-range magnetic correlation around T ~ 22 K. With further cooling, an antiferromagnetic phase transition is observed at TN ~ 5.4 K. Neutron powder diffraction revealed antiferromagnetic noncollinear order with a commensurate propagation vector k = (1/2, 1, 0). The refined magnetic moment size of Ni2+ at 1.5 K is 1.84{\mu}B, and its noncollinear spin texture is confirmed by first-principles calculations. Inelastic neutron-scattering results and density functional theory calculations confirmed the quasi-one-dimensional nature of the spin systems.

Kubernetes is a free, open-source container orchestration system for deploying and managing Docker containers that host microservices. Kubernetes cluster logs help in determining the reason for the failure. However, as systems become more complex, identifying failure reasons manually becomes more difficult and time-consuming. This study aims to identify effective and efficient classification algorithms to automatically determine the failure reason. We compare five classification algorithms, Support Vector Machines, K-Nearest Neighbors, Random Forest, Gradient Boosting Classifier, and Multilayer Perceptron. Our results indicate that Random Forest produces good accuracy while requiring fewer computational resources than other algorithms.

Genetic engineering of cells has a range of applications in treating incurable diseases. Plasmid DNA is a popular choice of nucleic acid for cell engineering due to its low cost and stability. However, plasmid DNA must survive the protective mechanisms present in the cell's cytoplasm to enter the nucleus for translation. Many of the existing methods for nucleic acid delivery, such as chemical-based and virus-based delivery, suffer from drawbacks induced by the nucleic acid carrier itself. Mechanical methods present an alternative to nucleic acid carriers by physically producing openings in the cell to deliver cargos. However, in most systems, the cell membrane openings are too small to deliver large cargos, or the poration process leads to low cell viability. In this study, we present a microfluidic device with integrated high aspect ratio nanostructures that repeatably rupture the cell membrane and nuclear envelope. These sharp-tipped nanolancets penetrate the cell deep enough to allow direct delivery of cargos into the nucleus, but still allow for cell recovery after treatment. We show the device's ability to deliver cargo to a variety of cell types while maintaining high viability. Then, we demonstrate the rapid onset of plasmid DNA expression that results from direct nuclear delivery of naked DNA, showing expression speeds comparable to microinjection, but with significantly greater throughput. We envision the use of this device as a tool to quickly produce high quantities of genetically engineered cells to treat a myriad of diseases.

This paper presents a new approach for classification of dysfluent and fluent speech using Mel-Frequency Cepstral Coefficient (MFCC). The speech is fluent when person's speech flows easily and smoothly. Sounds combine into syllable, syllables mix together into words and words link into sentences with little effort. When someone's speech is dysfluent, it is irregular and does not flow effortlessly. Therefore, a dysfluency is a break in the smooth, meaningful flow of speech. Stuttering is one such disorder in which the fluent flow of speech is disrupted by occurrences of dysfluencies such as repetitions, prolongations, interjections and so on. In this work we have considered three types of dysfluencies such as repetition, prolongation and interjection to characterize dysfluent speech. After obtaining dysfluent and fluent speech, the speech signals are analyzed in order to extract MFCC features. The k-Nearest Neighbor (k-NN) and Support Vector Machine (SVM) classifiers are used to classify the speech as dysfluent and fluent speech. The 80% of the data is used for training and 20% for testing. The average accuracy of 86.67% and 93.34% is obtained for dysfluent and fluent speech respectively.

Multi-vector document retrieval systems, such as ColPali, excel in fine-grained matching for complex queries but incur significant storage and computational costs due to their reliance on high-dimensional patch embeddings and late-interaction scoring. To address these challenges, we propose HPC-ColPali, a Hierarchical Patch Compression framework that enhances the efficiency of ColPali while preserving its retrieval accuracy. Our approach integrates three innovative techniques: (1) K-Means quantization, which compresses patch embeddings into 1-byte centroid indices, achieving up to 32times storage reduction; (2) attention-guided dynamic pruning, utilizing Vision-Language Model attention weights to retain only the top-p% most salient patches, reducing late-interaction computation by up to 60\% with less than 2\% nDCG@10 loss; and (3) optional binary encoding of centroid indices into b-bit strings (b=lceillog_2 Krceil), enabling rapid Hamming distance-based similarity search for resource-constrained environments. Evaluated on the ViDoRe and SEC-Filings datasets, HPC-ColPali achieves 30--50\% lower query latency under HNSW indexing while maintaining high retrieval precision. When integrated into a Retrieval-Augmented Generation pipeline for legal summarization, it reduces hallucination rates by 30\% and halves end-to-end latency. These advancements establish HPC-ColPali as a scalable and efficient solution for multi-vector document retrieval across diverse applications. Code is available at https://github.com/DngBack/HPC-ColPali.

The adversarial vulnerability of Deep Neural Networks (DNNs) has been well-known and widely concerned, often under the context of learning top-1 attacks (e.g., fooling a DNN to classify a cat image as dog). This paper shows that the concern is much more serious by learning significantly more aggressive ordered top-K clear-box~ This is often referred to as white/black-box attacks in the literature. We choose to adopt neutral terminology, clear/opaque-box attacks in this paper, and omit the prefix clear-box for simplicity. targeted attacks proposed in Adversarial Distillation. We propose a novel and rigorous quadratic programming (QP) method of learning ordered top-K attacks with low computing cost, dubbed as QuadAttacK. Our QuadAttacK directly solves the QP to satisfy the attack constraint in the feature embedding space (i.e., the input space to the final linear classifier), which thus exploits the semantics of the feature embedding space (i.e., the principle of class coherence). With the optimized feature embedding vector perturbation, it then computes the adversarial perturbation in the data space via the vanilla one-step back-propagation. In experiments, the proposed QuadAttacK is tested in the ImageNet-1k classification using ResNet-50, DenseNet-121, and Vision Transformers (ViT-B and DEiT-S). It successfully pushes the boundary of successful ordered top-K attacks from K=10 up to K=20 at a cheap budget (1times 60) and further improves attack success rates for K=5 for all tested models, while retaining the performance for K=1.

This paper introduces Neurocache, an approach to extend the effective context size of large language models (LLMs) using an external vector cache to store its past states. Like recent vector retrieval approaches, Neurocache uses an efficient k-nearest-neighbor (kNN) algorithm to retrieve relevant past states and incorporate them into the attention process. Neurocache improves upon previous methods by (1) storing compressed states, which reduces cache size; (2) performing a single retrieval operation per token which increases inference speed; and (3) extending the retrieval window to neighboring states, which improves both language modeling and downstream task accuracy. Our experiments show the effectiveness of Neurocache both for models trained from scratch and for pre-trained models such as Llama2-7B and Mistral-7B when enhanced with the cache mechanism. We also compare Neurocache with text retrieval methods and show improvements in single-document question-answering and few-shot learning tasks. We made the source code available under: https://github.com/alisafaya/neurocache

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.

Relation extraction (RE) has achieved remarkable progress with the help of pre-trained language models. However, existing RE models are usually incapable of handling two situations: implicit expressions and long-tail relation classes, caused by language complexity and data sparsity. Further, these approaches and models are largely inaccessible to users who don't have direct access to large language models (LLMs) and/or infrastructure for supervised training or fine-tuning. Rule-based systems also struggle with implicit expressions. Apart from this, Real world financial documents such as various 10-X reports (including 10-K, 10-Q, etc.) of publicly traded companies pose another challenge to rule-based systems in terms of longer and complex sentences. In this paper, we introduce a simple approach that consults training relations at test time through a nearest-neighbor search over dense vectors of lexico-syntactic patterns and provides a simple yet effective means to tackle the above issues. We evaluate our approach on REFinD and show that our method achieves state-of-the-art performance. We further show that it can provide a good start for human in the loop setup when a small number of annotations are available and it is also beneficial when domain experts can provide high quality patterns.

Recent advancements in function calling and tool use have significantly enhanced the capabilities of large language models (LLMs) by enabling them to interact with external information sources and execute complex tasks. However, the limited context window of LLMs presents challenges when a large number of tools are available, necessitating efficient methods to manage prompt length and maintain accuracy. Existing approaches, such as fine-tuning LLMs or leveraging their reasoning capabilities, either require frequent retraining or incur significant latency overhead. A more efficient solution involves training smaller models to retrieve the most relevant tools for a given query, although this requires high quality, domain-specific data. To address those challenges, we present a novel framework for generating synthetic data for tool retrieval applications and an efficient data-driven tool retrieval strategy using small encoder models. Empowered by LLMs, we create ToolBank, a new tool retrieval dataset that reflects real human user usages. For tool retrieval methodologies, we propose novel approaches: (1) Tool2Vec: usage-driven tool embedding generation for tool retrieval, (2) ToolRefiner: a staged retrieval method that iteratively improves the quality of retrieved tools, and (3) MLC: framing tool retrieval as a multi-label classification problem. With these new methods, we achieve improvements of up to 27.28 in Recall@K on the ToolBench dataset and 30.5 in Recall@K on ToolBank. Additionally, we present further experimental results to rigorously validate our methods. Our code is available at https://github.com/SqueezeAILab/Tool2Vec

Since its inception in "Attention Is All You Need", transformer architecture has led to revolutionary advancements in NLP. The attention layer within the transformer admits a sequence of input tokens X and makes them interact through pairwise similarities computed as softmax(XQK^top X^top), where (K,Q) are the trainable key-query parameters. In this work, we establish a formal equivalence between the optimization geometry of self-attention and a hard-margin SVM problem that separates optimal input tokens from non-optimal tokens using linear constraints on the outer-products of token pairs. This formalism allows us to characterize the implicit bias of 1-layer transformers optimized with gradient descent: (1) Optimizing the attention layer with vanishing regularization, parameterized by (K,Q), converges in direction to an SVM solution minimizing the nuclear norm of the combined parameter W=KQ^top. Instead, directly parameterizing by W minimizes a Frobenius norm objective. We characterize this convergence, highlighting that it can occur toward locally-optimal directions rather than global ones. (2) Complementing this, we prove the local/global directional convergence of gradient descent under suitable geometric conditions. Importantly, we show that over-parameterization catalyzes global convergence by ensuring the feasibility of the SVM problem and by guaranteeing a benign optimization landscape devoid of stationary points. (3) While our theory applies primarily to linear prediction heads, we propose a more general SVM equivalence that predicts the implicit bias with nonlinear heads. Our findings are applicable to arbitrary datasets and their validity is verified via experiments. We also introduce several open problems and research directions. We believe these findings inspire the interpretation of transformers as a hierarchy of SVMs that separates and selects optimal tokens.

Accumulation of corporate data in the cloud has attracted more enterprise applications to the cloud creating data gravity. As a consequence, network traffic has become more cloud centric. This increase in cloud centric traffic poses new challenges in designing learning systems for streaming data due to class imbalance. The number of classes plays a vital role in the accuracy of the classifiers built from the data streams. In this paper, we present a vector quantization-based sampling method, which substantially reduces the class imbalance in data streams. We demonstrate its effectiveness by conducting experiments on network traffic and anomaly dataset with commonly used ML model building methods; Multilayered Perceptron on TensorFlow backend, Support Vector Machines, K-Nearest Neighbour, and Random Forests. We built models using parallel processing, batch processing, and randomly selecting samples. We show that the accuracy of classification models improves when the data streams are pre-processed with our method. We used out of the box hyper-parameters of these classifiers and auto sklearn for hyperparameter optimization.

Long context large language models (LLMs) pose significant challenges for efficient serving due to the large memory footprint and high access overhead of KV cache. Retrieval-based KV cache reduction methods can mitigate these challenges, typically by offloading the complete KV cache to CPU and retrieving necessary tokens on demand during inference. However, these methods still suffer from unsatisfactory accuracy degradation and extra retrieval overhead. To address these limitations, this paper proposes A^2ATS, a novel retrieval-based KV cache reduction method. A^2ATS aims to obtain an accurate approximation of attention scores by applying the vector quantization technique to key states, thereby enabling efficient and precise retrieval of the top-K tokens. First, we propose Windowed Rotary Position Embedding, which decouples the positional dependency from query and key states after position embedding. Then, we propose query-aware vector quantization that optimizes the objective of attention score approximation directly. Finally, we design the heterogeneous inference architecture for KV cache offloading, enabling long context serving with larger batch sizes. Experimental results demonstrate that A^2ATS can achieve a lower performance degradation with similar or lower overhead compared to existing methods, thereby increasing long context serving throughput by up to 2.7 times.

High-dimensional vector embeddings are widely used in retrieval systems, yet dimensionality reduction (DR) is seldom applied due to its tendency to distort nearest-neighbor (NN) structure critical for search. Existing DR techniques such as PCA and UMAP optimize global or manifold-preserving criteria, rather than retrieval-specific objectives. We present MPAD: Maximum Pairwise Absolute Difference, an unsupervised DR method that explicitly preserves approximate NN relations by maximizing the margin between k-NNs and non-k-NNs under a soft orthogonality constraint. This design enables MPAD to retain ANN-relevant geometry without supervision or changes to the original embedding model. Experiments across multiple domains show that MPAD consistently outperforms standard DR methods in preserving neighborhood structure, enabling more accurate search in reduced dimensions.

Reasoning over knowledge graphs (KGs) is a challenging task that requires a deep understanding of the complex relationships between entities and the underlying logic of their relations. Current approaches rely on learning geometries to embed entities in vector space for logical query operations, but they suffer from subpar performance on complex queries and dataset-specific representations. In this paper, we propose a novel decoupled approach, Language-guided Abstract Reasoning over Knowledge graphs (LARK), that formulates complex KG reasoning as a combination of contextual KG search and logical query reasoning, to leverage the strengths of graph extraction algorithms and large language models (LLM), respectively. Our experiments demonstrate that the proposed approach outperforms state-of-the-art KG reasoning methods on standard benchmark datasets across several logical query constructs, with significant performance gain for queries of higher complexity. Furthermore, we show that the performance of our approach improves proportionally to the increase in size of the underlying LLM, enabling the integration of the latest advancements in LLMs for logical reasoning over KGs. Our work presents a new direction for addressing the challenges of complex KG reasoning and paves the way for future research in this area.

Measuring soil health indicators is an important and challenging task that affects farmers' decisions on timing, placement, and quantity of fertilizers applied in the farms. Most existing methods to measure soil health indicators (SHIs) are in-lab wet chemistry or spectroscopy-based methods, which require significant human input and effort, time-consuming, costly, and are low-throughput in nature. To address this challenge, we develop an artificial intelligence (AI)-driven near real-time unmanned aerial vehicle (UAV)-based multispectral sensing (UMS) solution to estimate total nitrogen (TN) of the soil, an important macro-nutrient or SHI that directly affects the crop health. Accurate prediction of soil TN can significantly increase crop yield through informed decision making on the timing of seed planting, and fertilizer quantity and timing. We train two machine learning models including multi-layer perceptron and support vector machine to predict the soil nitrogen using a suite of data classes including multispectral characteristics of the soil and crops in red, near-infrared, and green spectral bands, computed vegetation indices, and environmental variables including air temperature and relative humidity. To generate the ground-truth data or the training data for the machine learning models, we measure the total nitrogen of the soil samples (collected from a farm) using laser-induced breakdown spectroscopy (LIBS).

Pixel-based reinforcement learning agents often fail under purely visual distribution shift even when latent dynamics and rewards are unchanged, but existing benchmarks entangle multiple sources of shift and hinder systematic analysis. We introduce KAGE-Env, a JAX-native 2D platformer that factorizes the observation process into independently controllable visual axes while keeping the underlying control problem fixed. By construction, varying a visual axis affects performance only through the induced state-conditional action distribution of a pixel policy, providing a clean abstraction for visual generalization. Building on this environment, we define KAGE-Bench, a benchmark of six known-axis suites comprising 34 train-evaluation configuration pairs that isolate individual visual shifts. Using a standard PPO-CNN baseline, we observe strong axis-dependent failures, with background and photometric shifts often collapsing success, while agent-appearance shifts are comparatively benign. Several shifts preserve forward motion while breaking task completion, showing that return alone can obscure generalization failures. Finally, the fully vectorized JAX implementation enables up to 33M environment steps per second on a single GPU, enabling fast and reproducible sweeps over visual factors. Code: https://avanturist322.github.io/KAGEBench/.

African agriculture is undergoing rapid transformation. Annual maps of crop fields are key to understanding the nature of this transformation, but such maps are currently lacking and must be developed using advanced machine learning models trained on high resolution remote sensing imagery. To enable the development of such models, we delineated field boundaries in 33,746 Planet images captured between 2017 and 2023 across the continent using a custom labeling platform with built-in procedures for assessing and mitigating label error. We collected 42,403 labels, including 7,204 labels arising from tasks dedicated to assessing label quality (Class 1 labels), 32,167 from sites mapped once by a single labeller (Class 2) and 3,032 labels from sites where 3 or more labellers were tasked to map the same location (Class 4). Class 1 labels were used to calculate labeller-specific quality scores, while Class 1 and 4 sites mapped by at least 3 labellers were used to further evaluate label uncertainty using a Bayesian risk metric. Quality metrics showed that label quality was moderately high (0.75) for measures of total field extent, but low regarding the number of individual fields delineated (0.33), and the position of field edges (0.05). These values are expected when delineating small-scale fields in 3-5 m resolution imagery, which can be too coarse to reliably distinguish smaller fields, particularly in dense croplands, and therefore requires substantial labeller judgement. Nevertheless, previous work shows that such labels can train effective field mapping models. Furthermore, this large, probabilistic sample on its own provides valuable insight into regional agricultural characteristics, highlighting variations in the median field size and density. The imagery and vectorized labels along with quality information is available for download from two public repositories.

Real-world datasets exhibit imbalances of varying types and degrees. Several techniques based on re-weighting and margin adjustment of loss are often used to enhance the performance of neural networks, particularly on minority classes. In this work, we analyze the class-imbalanced learning problem by examining the loss landscape of neural networks trained with re-weighting and margin-based techniques. Specifically, we examine the spectral density of Hessian of class-wise loss, through which we observe that the network weights converge to a saddle point in the loss landscapes of minority classes. Following this observation, we also find that optimization methods designed to escape from saddle points can be effectively used to improve generalization on minority classes. We further theoretically and empirically demonstrate that Sharpness-Aware Minimization (SAM), a recent technique that encourages convergence to a flat minima, can be effectively used to escape saddle points for minority classes. Using SAM results in a 6.2\% increase in accuracy on the minority classes over the state-of-the-art Vector Scaling Loss, leading to an overall average increase of 4\% across imbalanced datasets. The code is available at: https://github.com/val-iisc/Saddle-LongTail.

We consider the problem of computing the Walsh-Hadamard Transform (WHT) of some N-length input vector in the presence of noise, where the N-point Walsh spectrum is K-sparse with K = {O}(N^{delta}) scaling sub-linearly in the input dimension N for some 0<delta<1. Over the past decade, there has been a resurgence in research related to the computation of Discrete Fourier Transform (DFT) for some length-N input signal that has a K-sparse Fourier spectrum. In particular, through a sparse-graph code design, our earlier work on the Fast Fourier Aliasing-based Sparse Transform (FFAST) algorithm computes the K-sparse DFT in time {O}(Klog K) by taking {O}(K) noiseless samples. Inspired by the coding-theoretic design framework, Scheibler et al. proposed the Sparse Fast Hadamard Transform (SparseFHT) algorithm that elegantly computes the K-sparse WHT in the absence of noise using {O}(Klog N) samples in time {O}(Klog^2 N). However, the SparseFHT algorithm explicitly exploits the noiseless nature of the problem, and is not equipped to deal with scenarios where the observations are corrupted by noise. Therefore, a question of critical interest is whether this coding-theoretic framework can be made robust to noise. Further, if the answer is yes, what is the extra price that needs to be paid for being robust to noise? In this paper, we show, quite interestingly, that there is {\it no extra price} that needs to be paid for being robust to noise other than a constant factor. In other words, we can maintain the same sample complexity {O}(Klog N) and the computational complexity {O}(Klog^2 N) as those of the noiseless case, using our SParse Robust Iterative Graph-based Hadamard Transform (SPRIGHT) algorithm.

We present TokenFlow, a novel unified image tokenizer that bridges the long-standing gap between multimodal understanding and generation. Prior research attempt to employ a single reconstruction-targeted Vector Quantization (VQ) encoder for unifying these two tasks. We observe that understanding and generation require fundamentally different granularities of visual information. This leads to a critical trade-off, particularly compromising performance in multimodal understanding tasks. TokenFlow addresses this challenge through an innovative dual-codebook architecture that decouples semantic and pixel-level feature learning while maintaining their alignment via a shared mapping mechanism. This design enables direct access to both high-level semantic representations crucial for understanding tasks and fine-grained visual features essential for generation through shared indices. Our extensive experiments demonstrate TokenFlow's superiority across multiple dimensions. Leveraging TokenFlow, we demonstrate for the first time that discrete visual input can surpass LLaVA-1.5 13B in understanding performance, achieving a 7.2\% average improvement. For image reconstruction, we achieve a strong FID score of 0.63 at 384*384 resolution. Moreover, TokenFlow establishes state-of-the-art performance in autoregressive image generation with a GenEval score of 0.55 at 256*256 resolution, achieving comparable results to SDXL.

DNA sequence alignment involves assigning short DNA reads to the most probable locations on an extensive reference genome. This process is crucial for various genomic analyses, including variant calling, transcriptomics, and epigenomics. Conventional methods, refined over decades, tackle this challenge in 2 steps: genome indexing followed by efficient search to locate likely positions for given reads. Building on the success of Large Language Models in encoding text into embeddings, where the distance metric captures semantic similarity, recent efforts have explored whether the same Transformer architecture can produce embeddings for DNA sequences. Such models have shown early promise in classifying short DNA sequences, such as detecting coding/non-coding regions, and enhancer, promoter sequences. However, performance at sequence classification tasks does not translate to sequence alignment, where it is necessary to search across the genome to align each read, a significantly longer-range task. We bridge this gap by framing the Sequence Alignment task for Transformer models as an "Embed-Search-Align" task. In this framework, a novel Reference-Free DNA Embedding model generates embeddings of reads and reference fragments, which are projected into a shared vector space where the read-fragment distance is used as a surrogate for alignment. Technical contributions include: (1) Contrastive loss for self-supervised training of DNA sequence representations, facilitating rich reference-free, sequence-level embeddings, and (2) a DNA vector store to enable search across fragments on a global scale. DNA-ESA is 99% accurate when aligning 250-length reads onto a human genome (3gb), rivaling conventional methods such as Bowtie and BWA-Mem. DNA-ESA exceeds the performance of 6 Transformer model baselines such as Nucleotide Transformer, Hyena-DNA, and shows task transfer across chromosomes and species.

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

Recent advancements in speech-language models have yielded significant improvements in speech tokenization and synthesis. However, effectively mapping the complex, multidimensional attributes of speech into discrete tokens remains challenging. This process demands acoustic, semantic, and contextual information for precise speech representations. Existing speech representations generally fall into two categories: acoustic tokens from audio codecs and semantic tokens from speech self-supervised learning models. Although recent efforts have unified acoustic and semantic tokens for improved performance, they overlook the crucial role of contextual representation in comprehensive speech modeling. Our empirical investigations reveal that the absence of contextual representations results in elevated Word Error Rate (WER) and Word Information Lost (WIL) scores in speech transcriptions. To address these limitations, we propose two novel distillation approaches: (1) a language model (LM)-guided distillation method that incorporates contextual information, and (2) a combined LM and self-supervised speech model (SM)-guided distillation technique that effectively distills multimodal representations (acoustic, semantic, and contextual) into a comprehensive speech tokenizer, termed DM-Codec. The DM-Codec architecture adopts a streamlined encoder-decoder framework with a Residual Vector Quantizer (RVQ) and incorporates the LM and SM during the training process. Experiments show DM-Codec significantly outperforms state-of-the-art speech tokenization models, reducing WER by up to 13.46%, WIL by 9.82%, and improving speech quality by 5.84% and intelligibility by 1.85% on the LibriSpeech benchmark dataset. The code, samples, and model checkpoints are available at https://github.com/mubtasimahasan/DM-Codec.

We present FrameFlow, a method for fast protein backbone generation using SE(3) flow matching. Specifically, we adapt FrameDiff, a state-of-the-art diffusion model, to the flow-matching generative modeling paradigm. We show how flow matching can be applied on SE(3) and propose modifications during training to effectively learn the vector field. Compared to FrameDiff, FrameFlow requires five times fewer sampling timesteps while achieving two fold better designability. The ability to generate high quality protein samples at a fraction of the cost of previous methods paves the way towards more efficient generative models in de novo protein design.

Commonly used image tokenizers produce a 2D grid of spatially arranged tokens. In contrast, so-called 1D image tokenizers represent images as highly compressed one-dimensional sequences of as few as 32 discrete tokens. We find that the high degree of compression achieved by a 1D tokenizer with vector quantization enables image editing and generative capabilities through heuristic manipulation of tokens, demonstrating that even very crude manipulations -- such as copying and replacing tokens between latent representations of images -- enable fine-grained image editing by transferring appearance and semantic attributes. Motivated by the expressivity of the 1D tokenizer's latent space, we construct an image generation pipeline leveraging gradient-based test-time optimization of tokens with plug-and-play loss functions such as reconstruction or CLIP similarity. Our approach is demonstrated for inpainting and text-guided image editing use cases, and can generate diverse and realistic samples without requiring training of any generative model.

Linear Recurrent Neural Networks (LRNNs) such as Mamba, RWKV, GLA, mLSTM, and DeltaNet have emerged as efficient alternatives to Transformers for long sequences. However, both Transformers and LRNNs struggle to perform state-tracking, which may impair performance in tasks such as code evaluation. In one forward pass, current architectures are unable to solve even parity, the simplest state-tracking task, which non-linear RNNs can handle effectively. Recently, Sarrof et al. (2024) demonstrated that the failure of LRNNs like Mamba to solve parity stems from restricting the value range of their diagonal state-transition matrices to [0, 1] and that incorporating negative values can resolve this issue. We extend this result to non-diagonal LRNNs such as DeltaNet. We prove that finite precision LRNNs with state-transition matrices having only positive eigenvalues cannot solve parity, while non-triangular matrices are needed to count modulo 3. Notably, we also prove that LRNNs can learn any regular language when their state-transition matrices are products of identity minus vector outer product matrices, each with eigenvalues in the range [-1, 1]. Our experiments confirm that extending the eigenvalue range of Mamba and DeltaNet to include negative values not only enables them to solve parity but consistently improves their performance on state-tracking tasks. We also show that state-tracking enabled LRNNs can be pretrained stably and efficiently at scale (1.3B parameters), achieving competitive performance on language modeling and showing promise on code and math tasks.

In recent years, Printed Circuit Boards (PCB) have become the backbone of a large number of consumer electronic devices leading to a surge in their production. This has made it imperative to employ automatic inspection systems to identify manufacturing defects in PCB before they are installed in the respective systems. An important task in this regard is the classification of defects as either true or pseudo defects, which decides if the PCB is to be re-manufactured or not. This work proposes a novel approach to detect most common defects in the PCBs. The problem has been approached by employing highly discriminative features based on multi-scale wavelet transform, which are further boosted by using a kernalized version of the support vector machines (SVM). A real world printed circuit board dataset has been used for quantitative analysis. Experimental results demonstrated the efficacy of the proposed method.

We present the findings of "The Alzheimer's Disease Prediction Of Longitudinal Evolution" (TADPOLE) Challenge, which compared the performance of 92 algorithms from 33 international teams at predicting the future trajectory of 219 individuals at risk of Alzheimer's disease. Challenge participants were required to make a prediction, for each month of a 5-year future time period, of three key outcomes: clinical diagnosis, Alzheimer's Disease Assessment Scale Cognitive Subdomain (ADAS-Cog13), and total volume of the ventricles. The methods used by challenge participants included multivariate linear regression, machine learning methods such as support vector machines and deep neural networks, as well as disease progression models. No single submission was best at predicting all three outcomes. For clinical diagnosis and ventricle volume prediction, the best algorithms strongly outperform simple baselines in predictive ability. However, for ADAS-Cog13 no single submitted prediction method was significantly better than random guesswork. Two ensemble methods based on taking the mean and median over all predictions, obtained top scores on almost all tasks. Better than average performance at diagnosis prediction was generally associated with the additional inclusion of features from cerebrospinal fluid (CSF) samples and diffusion tensor imaging (DTI). On the other hand, better performance at ventricle volume prediction was associated with inclusion of summary statistics, such as the slope or maxima/minima of biomarkers. TADPOLE's unique results suggest that current prediction algorithms provide sufficient accuracy to exploit biomarkers related to clinical diagnosis and ventricle volume, for cohort refinement in clinical trials for Alzheimer's disease. However, results call into question the usage of cognitive test scores for patient selection and as a primary endpoint in clinical trials.

Explainable Artificial Intelligence (XAI) addresses the growing need for transparency and interpretability in AI systems, enabling trust and accountability in decision-making processes. This book offers a comprehensive guide to XAI, bridging foundational concepts with advanced methodologies. It explores interpretability in traditional models such as Decision Trees, Linear Regression, and Support Vector Machines, alongside the challenges of explaining deep learning architectures like CNNs, RNNs, and Large Language Models (LLMs), including BERT, GPT, and T5. The book presents practical techniques such as SHAP, LIME, Grad-CAM, counterfactual explanations, and causal inference, supported by Python code examples for real-world applications. Case studies illustrate XAI's role in healthcare, finance, and policymaking, demonstrating its impact on fairness and decision support. The book also covers evaluation metrics for explanation quality, an overview of cutting-edge XAI tools and frameworks, and emerging research directions, such as interpretability in federated learning and ethical AI considerations. Designed for a broad audience, this resource equips readers with the theoretical insights and practical skills needed to master XAI. Hands-on examples and additional resources are available at the companion GitHub repository: https://github.com/Echoslayer/XAI_From_Classical_Models_to_LLMs.

Advancements in artificial intelligence, machine learning, and deep learning have catalyzed the transformation of big data analytics and management into pivotal domains for research and application. This work explores the theoretical foundations, methodological advancements, and practical implementations of these technologies, emphasizing their role in uncovering actionable insights from massive, high-dimensional datasets. The study presents a systematic overview of data preprocessing techniques, including data cleaning, normalization, integration, and dimensionality reduction, to prepare raw data for analysis. Core analytics methodologies such as classification, clustering, regression, and anomaly detection are examined, with a focus on algorithmic innovation and scalability. Furthermore, the text delves into state-of-the-art frameworks for data mining and predictive modeling, highlighting the role of neural networks, support vector machines, and ensemble methods in tackling complex analytical challenges. Special emphasis is placed on the convergence of big data with distributed computing paradigms, including cloud and edge computing, to address challenges in storage, computation, and real-time analytics. The integration of ethical considerations, including data privacy and compliance with global standards, ensures a holistic perspective on data management. Practical applications across healthcare, finance, marketing, and policy-making illustrate the real-world impact of these technologies. Through comprehensive case studies and Python-based implementations, this work equips researchers, practitioners, and data enthusiasts with the tools to navigate the complexities of modern data analytics. It bridges the gap between theory and practice, fostering the development of innovative solutions for managing and leveraging data in the era of artificial intelligence.

Instruction-tuned Large Language Models (LLMs) underperform on low resource, non-Latin scripts due to tokenizer fragmentation and weak cross-lingual coupling. We present LLINK (Latent Language Injection for Non-English Knowledge), a compute efficient language-as-modality method that conditions an instruction-tuned decoder without changing the tokenizer or retraining the decoder. First, we align sentence embeddings from a frozen multilingual encoder to the decoder's latent embedding space at a reserved position via a lightweight contrastive projector. Second, the vector is expanded into K soft slots and trained with minimal adapters so the frozen decoder consumes the signal. LLINK substantially improves bilingual retrieval and achieves 81.3% preference over the base model and 63.6% over direct fine-tuning in LLM-judged Q&A evaluations. We further find that improvements can be attributed to reduced tokenization inflation and a stronger cross lingual alignment, despite the model having residual weaknesses in numeric fidelity. Treating low resource languages as a modality offers a practical path to stronger cross-lingual alignment in lightweight LLMs.

The efficiency of large language models (LLMs) is fundamentally limited by their sequential, token-by-token generation process. We argue that overcoming this bottleneck requires a new design axis for LLM scaling: increasing the semantic bandwidth of each generative step. To this end, we introduce Continuous Autoregressive Language Models (CALM), a paradigm shift from discrete next-token prediction to continuous next-vector prediction. CALM uses a high-fidelity autoencoder to compress a chunk of K tokens into a single continuous vector, from which the original tokens can be reconstructed with over 99.9\% accuracy. This allows us to model language as a sequence of continuous vectors instead of discrete tokens, which reduces the number of generative steps by a factor of K. The paradigm shift necessitates a new modeling toolkit; therefore, we develop a comprehensive likelihood-free framework that enables robust training, evaluation, and controllable sampling in the continuous domain. Experiments show that CALM significantly improves the performance-compute trade-off, achieving the performance of strong discrete baselines at a significantly lower computational cost. More importantly, these findings establish next-vector prediction as a powerful and scalable pathway towards ultra-efficient language models. Code: https://github.com/shaochenze/calm. Project: https://shaochenze.github.io/blog/2025/CALM.

In this paper, we propose a machine learning-based method for automatically classifying honey botanical origins. Dataset preparation, feature extraction, and classification are the three main steps of the proposed method. We use a class transformation method in the dataset preparation phase to maximize the separability across classes. The feature extraction phase employs the Linear Discriminant Analysis (LDA) technique for extracting relevant features and reducing the number of dimensions. In the classification phase, we use Support Vector Machines (SVM) and K-Nearest Neighbors (KNN) models to classify the extracted features of honey samples into their botanical origins. We evaluate our system using a standard honey hyperspectral imaging (HSI) dataset. Experimental findings demonstrate that the proposed system produces state-of-the-art results on this dataset, achieving the highest classification accuracy of 95.13% for hyperspectral image-based classification and 92.80% for hyperspectral instance-based classification.

In recent years, microservices have gained widespread adoption in IT operations due to their scalability, maintenance, and flexibility. However, it becomes challenging for site reliability engineers (SREs) to pinpoint the root cause due to the complex relationships in microservices when facing system malfunctions. Previous research employed structured learning methods (e.g., PC-algorithm) to establish causal relationships and derive root causes from causal graphs. Nevertheless, they ignored the temporal order of time series data and failed to leverage the rich information inherent in the temporal relationships. For instance, in cases where there is a sudden spike in CPU utilization, it can lead to an increase in latency for other microservices. However, in this scenario, the anomaly in CPU utilization occurs before the latency increase, rather than simultaneously. As a result, the PC-algorithm fails to capture such characteristics. To address these challenges, we propose RUN, a novel approach for root cause analysis using neural Granger causal discovery with contrastive learning. RUN enhances the backbone encoder by integrating contextual information from time series, and leverages a time series forecasting model to conduct neural Granger causal discovery. In addition, RUN incorporates Pagerank with a personalization vector to efficiently recommend the top-k root causes. Extensive experiments conducted on the synthetic and real-world microservice-based datasets demonstrate that RUN noticeably outperforms the state-of-the-art root cause analysis methods. Moreover, we provide an analysis scenario for the sock-shop case to showcase the practicality and efficacy of RUN in microservice-based applications. Our code is publicly available at https://github.com/zmlin1998/RUN.

Objective: To transform heterogeneous clinical data from electronic health records into clinically meaningful constructed features using data driven method that rely, in part, on temporal relations among data. Materials and Methods: The clinically meaningful representations of medical concepts and patients are the key for health analytic applications. Most of existing approaches directly construct features mapped to raw data (e.g., ICD or CPT codes), or utilize some ontology mapping such as SNOMED codes. However, none of the existing approaches leverage EHR data directly for learning such concept representation. We propose a new way to represent heterogeneous medical concepts (e.g., diagnoses, medications and procedures) based on co-occurrence patterns in longitudinal electronic health records. The intuition behind the method is to map medical concepts that are co-occuring closely in time to similar concept vectors so that their distance will be small. We also derive a simple method to construct patient vectors from the related medical concept vectors. Results: For qualitative evaluation, we study similar medical concepts across diagnosis, medication and procedure. In quantitative evaluation, our proposed representation significantly improves the predictive modeling performance for onset of heart failure (HF), where classification methods (e.g. logistic regression, neural network, support vector machine and K-nearest neighbors) achieve up to 23% improvement in area under the ROC curve (AUC) using this proposed representation. Conclusion: We proposed an effective method for patient and medical concept representation learning. The resulting representation can map relevant concepts together and also improves predictive modeling performance.

Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug approval prediction, their limited interpretability constraints their impact. Here, we present DrugReasoner, a reasoning-based large language model (LLM) built on the LLaMA architecture and fine-tuned with group relative policy optimization (GRPO) to predict the likelihood of small-molecule approval. DrugReasoner integrates molecular descriptors with comparative reasoning against structurally similar approved and unapproved compounds, generating predictions alongside step-by-step rationales and confidence scores. DrugReasoner achieved robust performance with an AUC of 0.732 and an F1 score of 0.729 on the validation set and 0.725 and 0.718 on the test set, respectively. These results outperformed conventional baselines, including logistic regression, support vector machine, and k-nearest neighbors and had competitive performance relative to XGBoost. On an external independent dataset, DrugReasoner outperformed both baseline and the recently developed ChemAP model, achieving an AUC of 0.728 and an F1-score of 0.774, while maintaining high precision and balanced sensitivity, demonstrating robustness in real-world scenarios. These findings demonstrate that DrugReasoner not only delivers competitive predictive accuracy but also enhances transparency through its reasoning outputs, thereby addressing a key bottleneck in AI-assisted drug discovery. This study highlights the potential of reasoning-augmented LLMs as interpretable and effective tools for pharmaceutical decision-making.

Vector search systems, pivotal in AI applications, often rely on the Hierarchical Navigable Small Worlds (HNSW) algorithm. However, the behaviour of HNSW under real-world scenarios using vectors generated with deep learning models remains under-explored. Existing Approximate Nearest Neighbours (ANN) benchmarks and research typically has an over-reliance on simplistic datasets like MNIST or SIFT1M and fail to reflect the complexity of current use-cases. Our investigation focuses on HNSW's efficacy across a spectrum of datasets, including synthetic vectors tailored to mimic specific intrinsic dimensionalities, widely-used retrieval benchmarks with popular embedding models, and proprietary e-commerce image data with CLIP models. We survey the most popular HNSW vector databases and collate their default parameters to provide a realistic fixed parameterisation for the duration of the paper. We discover that the recall of approximate HNSW search, in comparison to exact K Nearest Neighbours (KNN) search, is linked to the vector space's intrinsic dimensionality and significantly influenced by the data insertion sequence. Our methodology highlights how insertion order, informed by measurable properties such as the pointwise Local Intrinsic Dimensionality (LID) or known categories, can shift recall by up to 12 percentage points. We also observe that running popular benchmark datasets with HNSW instead of KNN can shift rankings by up to three positions for some models. This work underscores the need for more nuanced benchmarks and design considerations in developing robust vector search systems using approximate vector search algorithms. This study presents a number of scenarios with varying real world applicability which aim to better increase understanding and future development of ANN algorithms and embedding

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

The efficacy of deep residual networks is fundamentally predicated on the identity shortcut connection. While this mechanism effectively mitigates the vanishing gradient problem, it imposes a strictly additive inductive bias on feature transformations, thereby limiting the network's capacity to model complex state transitions. In this paper, we introduce Deep Delta Learning (DDL), a novel architecture that generalizes the standard residual connection by modulating the identity shortcut with a learnable, data-dependent geometric transformation. This transformation, termed the Delta Operator, constitutes a rank-1 perturbation of the identity matrix, parameterized by a reflection direction vector k(X) and a gating scalar β(X). We provide a spectral analysis of this operator, demonstrating that the gate β(X) enables dynamic interpolation between identity mapping, orthogonal projection, and geometric reflection. Furthermore, we restructure the residual update as a synchronous rank-1 injection, where the gate acts as a dynamic step size governing both the erasure of old information and the writing of new features. This unification empowers the network to explicitly control the spectrum of its layer-wise transition operator, enabling the modeling of complex, non-monotonic dynamics while preserving the stable training characteristics of gated residual architectures.

Agent memory has been touted as a dimension of growth for LLM-based applications, enabling agents that can accumulate experience, adapt across sessions, and move beyond single-shot question answering. The current generation of agent memory systems treats memory as an external layer that extracts salient snippets from conversations, stores them in vector or graph-based stores, and retrieves top-k items into the prompt of an otherwise stateless model. While these systems improve personalization and context carry-over, they still blur the line between evidence and inference, struggle to organize information over long horizons, and offer limited support for agents that must explain their reasoning. We present Hindsight, a memory architecture that treats agent memory as a structured, first-class substrate for reasoning by organizing it into four logical networks that distinguish world facts, agent experiences, synthesized entity summaries, and evolving beliefs. This framework supports three core operations -- retain, recall, and reflect -- that govern how information is added, accessed, and updated. Under this abstraction, a temporal, entity aware memory layer incrementally turns conversational streams into a structured, queryable memory bank, while a reflection layer reasons over this bank to produce answers and to update information in a traceable way. On key long-horizon conversational memory benchmarks like LongMemEval and LoCoMo, Hindsight with an open-source 20B model lifts overall accuracy from 39% to 83.6% over a full-context baseline with the same backbone and outperforms full context GPT-4o. Scaling the backbone further pushes Hindsight to 91.4% on LongMemEval and up to 89.61% on LoCoMo (vs. 75.78% for the strongest prior open system), consistently outperforming existing memory architectures on multi-session and open-domain questions.

Accurate diagnosis of power transformer faults is essential for ensuring the stability and safety of electrical power systems. This study presents a comparative analysis of conventional machine learning (ML) algorithms and deep learning (DL) algorithms for fault classification of power transformers. Using a condition-monitored dataset spanning 10 months, various gas concentration features were normalized and used to train five ML classifiers: Support Vector Machine (SVM), k-Nearest Neighbors (KNN), Random Forest (RF), XGBoost, and Artificial Neural Network (ANN). In addition, four DL models were evaluated: Long Short-Term Memory (LSTM), Gated Recurrent Unit (GRU), One-Dimensional Convolutional Neural Network (1D-CNN), and TabNet. Experimental results show that both ML and DL approaches performed comparably. The RF model achieved the highest ML accuracy at 86.82%, while the 1D-CNN model attained a close 86.30%.

Generating structured ASCII art using computational techniques demands a careful interplay between aesthetic representation and computational precision, requiring models that can effectively translate visual information into symbolic text characters. Although Convolutional Neural Networks (CNNs) have shown promise in this domain, the comparative performance of deep learning architectures and classical machine learning methods remains unexplored. This paper explores the application of contemporary ML and DL methods to generate structured ASCII art, focusing on three key criteria: fidelity, character classification accuracy, and output quality. We investigate deep learning architectures, including Multilayer Perceptrons (MLPs), ResNet, and MobileNetV2, alongside classical approaches such as Random Forests, Support Vector Machines (SVMs) and k-Nearest Neighbors (k-NN), trained on an augmented synthetic dataset of ASCII characters. Our results show that complex neural network architectures often fall short in producing high-quality ASCII art, whereas classical machine learning classifiers, despite their simplicity, achieve performance similar to CNNs. Our findings highlight the strength of classical methods in bridging model simplicity with output quality, offering new insights into ASCII art synthesis and machine learning on image data with low dimensionality.

This paper introduces a new application named ArPA for Arabic kids who have trouble with pronunciation. Our application comprises two key components: the diagnostic module and the therapeutic module. The diagnostic process involves capturing the child's speech signal, preprocessing, and analyzing it using different machine learning classifiers like K-Nearest Neighbors (KNN), Support Vector Machine (SVM), and Decision Trees as well as deep neural network classifiers like ResNet18. The therapeutic module offers eye-catching gamified interfaces in which each correctly spoken letter earns a higher avatar level, providing positive reinforcement for the child's pronunciation improvement. Two datasets were used for experimental evaluation: one from a childcare centre and the other including Arabic alphabet pronunciation recordings. Our work uses a novel technique for speech recognition using Melspectrogram and MFCC images. The results show that the ResNet18 classifier on speech-to-image converted data effectively identifies mispronunciations in Arabic speech with an accuracy of 99.015\% with Mel-Spectrogram images outperforming ResNet18 with MFCC images.

The ability of large language models to generate complex texts allows them to be widely integrated into many aspects of life, and their output can quickly fill all network resources. As the impact of LLMs grows, it becomes increasingly important to develop powerful detectors for the generated text. This detector is essential to prevent the potential misuse of these technologies and to protect areas such as social media from the negative effects of false content generated by LLMS. The main goal of LLM-generated text detection is to determine whether text is generated by an LLM, which is a basic binary classification task. In our work, we mainly use three different classification methods based on open source datasets: traditional machine learning techniques such as logistic regression, k-means clustering, Gaussian Naive Bayes, support vector machines, and methods based on converters such as BERT, and finally algorithms that use LLMs to detect LLM-generated text. We focus on model generalization, potential adversarial attacks, and accuracy of model evaluation. Finally, the possible research direction in the future is proposed, and the current experimental results are summarized.

Bangla Handwritten Digit recognition is a significant step forward in the development of Bangla OCR. However, intricate shape, structural likeness and distinctive composition style of Bangla digits makes it relatively challenging to distinguish. Thus, in this paper, we benchmarked four rigorous classifiers to recognize Bangla Handwritten Digit: K-Nearest Neighbor (KNN), Support Vector Machine (SVM), Random Forest (RF), and Gradient-Boosted Decision Trees (GBDT) based on three handcrafted feature extraction techniques: Histogram of Oriented Gradients (HOG), Local Binary Pattern (LBP), and Gabor filter on four publicly available Bangla handwriting digits datasets: NumtaDB, CMARTdb, Ekush and BDRW. Here, handcrafted feature extraction methods are used to extract features from the dataset image, which are then utilized to train machine learning classifiers to identify Bangla handwritten digits. We further fine-tuned the hyperparameters of the classification algorithms in order to acquire the finest Bangla handwritten digits recognition performance from these algorithms, and among all the models we employed, the HOG features combined with SVM model (HOG+SVM) attained the best performance metrics across all datasets. The recognition accuracy of the HOG+SVM method on the NumtaDB, CMARTdb, Ekush and BDRW datasets reached 93.32%, 98.08%, 95.68% and 89.68%, respectively as well as we compared the model performance with recent state-of-art methods.

Minwise hashing is a fundamental and one of the most successful hashing algorithm in the literature. Recent advances based on the idea of densification~Proc:OneHashLSH_ICML14,Proc:Shrivastava_UAI14 have shown that it is possible to compute k minwise hashes, of a vector with d nonzeros, in mere (d + k) computations, a significant improvement over the classical O(dk). These advances have led to an algorithmic improvement in the query complexity of traditional indexing algorithms based on minwise hashing. Unfortunately, the variance of the current densification techniques is unnecessarily high, which leads to significantly poor accuracy compared to vanilla minwise hashing, especially when the data is sparse. In this paper, we provide a novel densification scheme which relies on carefully tailored 2-universal hashes. We show that the proposed scheme is variance-optimal, and without losing the runtime efficiency, it is significantly more accurate than existing densification techniques. As a result, we obtain a significantly efficient hashing scheme which has the same variance and collision probability as minwise hashing. Experimental evaluations on real sparse and high-dimensional datasets validate our claims. We believe that given the significant advantages, our method will replace minwise hashing implementations in practice.

In this work, we study how multi-head latent attention (MLA), a popular strategy for compressing key/value memory, affects a transformer's internal capacity during pretraining. Using a lightweight suite of Marchenko-Pastur (MP) diagnostics, we analyze the spectrum of the W_{Q}W_{K}^top gram matrix throughout training, comparing three variants: the standard multi-head attention (MHA) baseline, MLA-PreRoPE with rotary applied before compression, and MLA-Decoupled, which shares a single rotary sub-vector across all heads. Our random matrix analysis reveals three key findings: i) capacity bottlenecks emerge locally: both MHA and MLA-PreRoPE exhibit sharp, early spikes in specific layers that persist and propagate, disrupting the balance between bulk and outlier directions; ii) these spikes coincide with rank collapse, concentrating the model's expressivity into narrow subspaces; iii) only the decoupled variant prevents this cascade, maintaining broad spectral support and suppressing outlier formation across layers. These results underscore that how rotary embeddings are applied is just as critical as where compression occurs. Sharing rotary components across heads mitigates spectral fragmentation and preserves representational capacity.

Machine Learning has been steadily gaining traction for its use in Anomaly-based Network Intrusion Detection Systems (A-NIDS). Research into this domain is frequently performed using the KDD~CUP~99 dataset as a benchmark. Several studies question its usability while constructing a contemporary NIDS, due to the skewed response distribution, non-stationarity, and failure to incorporate modern attacks. In this paper, we compare the performance for KDD-99 alternatives when trained using classification models commonly found in literature: Neural Network, Support Vector Machine, Decision Tree, Random Forest, Naive Bayes and K-Means. Applying the SMOTE oversampling technique and random undersampling, we create a balanced version of NSL-KDD and prove that skewed target classes in KDD-99 and NSL-KDD hamper the efficacy of classifiers on minority classes (U2R and R2L), leading to possible security risks. We explore UNSW-NB15, a modern substitute to KDD-99 with greater uniformity of pattern distribution. We benchmark this dataset before and after SMOTE oversampling to observe the effect on minority performance. Our results indicate that classifiers trained on UNSW-NB15 match or better the Weighted F1-Score of those trained on NSL-KDD and KDD-99 in the binary case, thus advocating UNSW-NB15 as a modern substitute to these datasets.