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Dec 30

Just read twice: closing the recall gap for recurrent language models

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.

  • 9 authors
·
Jul 7, 2024

Evolution Strategies at the Hyperscale

We introduce Evolution Guided General Optimization via Low-rank Learning (EGGROLL), an evolution strategies (ES) algorithm designed to scale backprop-free optimization to large population sizes for modern large neural network architectures with billions of parameters. ES is a set of powerful blackbox optimisation methods that can handle non-differentiable or noisy objectives with excellent scaling potential through parallelisation. Na{ï}ve ES becomes prohibitively expensive at scale due to the computational and memory costs associated with generating matrix perturbations EinR^{mtimes n} and the batched matrix multiplications needed to compute per-member forward passes. EGGROLL overcomes these bottlenecks by generating random matrices Ain R^{mtimes r}, Bin R^{ntimes r} with rll min(m,n) to form a low-rank matrix perturbation A B^top that are used in place of the full-rank perturbation E. As the overall update is an average across a population of N workers, this still results in a high-rank update but with significant memory and computation savings, reducing the auxiliary storage from mn to r(m+n) per layer and the cost of a forward pass from O(mn) to O(r(m+n)) when compared to full-rank ES. A theoretical analysis reveals our low-rank update converges to the full-rank update at a fast Oleft(1{r}right) rate. Our experiments show that (1) EGGROLL does not compromise the performance of ES in tabula-rasa RL settings, despite being faster, (2) it is competitive with GRPO as a technique for improving LLM reasoning, and (3) EGGROLL enables stable pre-training of nonlinear recurrent language models that operate purely in integer datatypes.

  • 16 authors
·
Nov 20

Efficient Parallel Samplers for Recurrent-Depth Models and Their Connection to Diffusion Language Models

Language models with recurrent depth, also referred to as universal or looped when considering transformers, are defined by the capacity to increase their computation through the repetition of layers. Recent efforts in pretraining have demonstrated that these architectures can scale to modern language modeling tasks while exhibiting advantages in reasoning tasks. In this work, we examine the relationship between recurrent-depth models and diffusion language models. Building on their similarities, we develop a new diffusion forcing sampler for these models to accelerate generation. The sampler advances by decoding new tokens at every forward pass of the model, while the latent states of these tokens can be further refined in parallel through recurrence. Theoretically, generation with our sampler is strictly more expressive than the baseline autoregressive generation using the same time budget on modern hardware. Moreover, this sampler, based on principles from diffusion literature, can be directly applied to existing 3.5B recurrent-depth transformers without any tuning, leading to up to a 5x speedup. Consequently, our findings not only provide an efficient mechanism for parallelizing the extra computation in recurrent-depth models at inference, but also suggest that such models can be naturally viewed as strong continuous, though causal, diffusion language models.

Liger: Linearizing Large Language Models to Gated Recurrent Structures

Transformers with linear recurrent modeling offer linear-time training and constant-memory inference. Despite their demonstrated efficiency and performance, pretraining such non-standard architectures from scratch remains costly and risky. The linearization of large language models (LLMs) transforms pretrained standard models into linear recurrent structures, enabling more efficient deployment. However, current linearization methods typically introduce additional feature map modules that require extensive fine-tuning and overlook the gating mechanisms used in state-of-the-art linear recurrent models. To address these issues, this paper presents Liger, short for Linearizing LLMs to gated recurrent structures. Liger is a novel approach for converting pretrained LLMs into gated linear recurrent models without adding extra parameters. It repurposes the pretrained key matrix weights to construct diverse gating mechanisms, facilitating the formation of various gated recurrent structures while avoiding the need to train additional components from scratch. Using lightweight fine-tuning with Low-Rank Adaptation (LoRA), Liger restores the performance of the linearized gated recurrent models to match that of the original LLMs. Additionally, we introduce Liger Attention, an intra-layer hybrid attention mechanism, which significantly recovers 93\% of the Transformer-based LLM at 0.02\% pre-training tokens during the linearization process, achieving competitive results across multiple benchmarks, as validated on models ranging from 1B to 8B parameters. Code is available at https://github.com/OpenSparseLLMs/Linearization.

  • 5 authors
·
Mar 3 2

Counting Ability of Large Language Models and Impact of Tokenization

Transformers, the backbone of modern large language models (LLMs), face inherent architectural limitations that impede their reasoning capabilities. Unlike recurrent networks, Transformers lack recurrent connections, confining them to constant-depth computation. This restriction places them in the complexity class TC^0, making them theoretically incapable of solving tasks that demand increasingly deep reasoning as input length grows. Counting, a fundamental component of many reasoning tasks, also requires reasoning depth to grow linearly to be performed inductively. While previous studies have established the upper limits of counting ability in Transformer-based expert models (i.e., models specifically trained for counting tasks), these findings do not directly extend to general-purpose LLMs due to differences in reasoning mechanisms. Recent work has highlighted how Chain of Thought (CoT) reasoning can help alleviate some of the architectural limitations of Transformers in counting tasks. However, little attention has been paid to the role of tokenization in these models. Unlike expert models that often use character-level tokenization, LLMs typically rely on byte-level (BPE) tokenizers, which fundamentally alters the way reasoning is processed. Our work investigates the impact of tokenization on the counting abilities of LLMs, uncovering substantial performance variations based on input tokenization differences. We provide both theoretical and experimental analyses, offering insights into how tokenization choices can undermine models' theoretical computability, thereby inspiring the design of new tokenization methods to enhance reasoning in LLMs.

  • 3 authors
·
Oct 25, 2024 2

ParaRNN: Unlocking Parallel Training of Nonlinear RNNs for Large Language Models

Recurrent Neural Networks (RNNs) laid the foundation for sequence modeling, but their intrinsic sequential nature restricts parallel computation, creating a fundamental barrier to scaling. This has led to the dominance of parallelizable architectures like Transformers and, more recently, State Space Models (SSMs). While SSMs achieve efficient parallelization through structured linear recurrences, this linearity constraint limits their expressive power and precludes modeling complex, nonlinear sequence-wise dependencies. To address this, we present ParaRNN, a framework that breaks the sequence-parallelization barrier for nonlinear RNNs. Building on prior work, we cast the sequence of nonlinear recurrence relationships as a single system of equations, which we solve in parallel using Newton's iterations combined with custom parallel reductions. Our implementation achieves speedups of up to 665x over naive sequential application, allowing training nonlinear RNNs at unprecedented scales. To showcase this, we apply ParaRNN to adaptations of LSTM and GRU architectures, successfully training models of 7B parameters that attain perplexity comparable to similarly-sized Transformers and Mamba2 architectures. To accelerate research in efficient sequence modeling, we release the ParaRNN codebase as an open-source framework for automatic training-parallelization of nonlinear RNNs, enabling researchers and practitioners to explore new nonlinear RNN models at scale.

  • 5 authors
·
Oct 24

Harnessing Multimodal Large Language Models for Multimodal Sequential Recommendation

Recent advances in Large Language Models (LLMs) have demonstrated significant potential in the field of Recommendation Systems (RSs). Most existing studies have focused on converting user behavior logs into textual prompts and leveraging techniques such as prompt tuning to enable LLMs for recommendation tasks. Meanwhile, research interest has recently grown in multimodal recommendation systems that integrate data from images, text, and other sources using modality fusion techniques. This introduces new challenges to the existing LLM-based recommendation paradigm which relies solely on text modality information. Moreover, although Multimodal Large Language Models (MLLMs) capable of processing multi-modal inputs have emerged, how to equip MLLMs with multi-modal recommendation capabilities remains largely unexplored. To this end, in this paper, we propose the Multimodal Large Language Model-enhanced Multimodaln Sequential Recommendation (MLLM-MSR) model. To capture the dynamic user preference, we design a two-stage user preference summarization method. Specifically, we first utilize an MLLM-based item-summarizer to extract image feature given an item and convert the image into text. Then, we employ a recurrent user preference summarization generation paradigm to capture the dynamic changes in user preferences based on an LLM-based user-summarizer. Finally, to enable the MLLM for multi-modal recommendation task, we propose to fine-tune a MLLM-based recommender using Supervised Fine-Tuning (SFT) techniques. Extensive evaluations across various datasets validate the effectiveness of MLLM-MSR, showcasing its superior ability to capture and adapt to the evolving dynamics of user preferences.

  • 9 authors
·
Aug 19, 2024

Think-at-Hard: Selective Latent Iterations to Improve Reasoning Language Models

Improving reasoning capabilities of Large Language Models (LLMs), especially under parameter constraints, is crucial for real-world applications. Prior work proposes recurrent transformers, which allocate a fixed number of extra iterations per token to improve generation quality. After the first, standard forward pass, instead of verbalization, last-layer hidden states are fed back as inputs for additional iterations to refine token predictions. Yet we identify a latent overthinking phenomenon: easy token predictions that are already correct after the first pass are sometimes revised into errors in additional iterations. To address this, we propose Think-at-Hard (TaH), a dynamic latent thinking method that iterates deeper only at hard tokens. It employs a lightweight neural decider to trigger latent iterations only at tokens that are likely incorrect after the standard forward pass. During latent iterations, Low-Rank Adaptation (LoRA) modules shift the LLM objective from general next-token prediction to focused hard-token refinement. We further introduce a duo-causal attention mechanism that extends attention from the token sequence dimension to an additional iteration depth dimension. This enables cross-iteration information flow while maintaining full sequential parallelism. Experiments show that TaH boosts LLM reasoning performance across five challenging benchmarks while maintaining the same parameter count. Compared with baselines that iterate twice for all output tokens, TaH delivers 8.1-11.3% accuracy gains while exempting 94% of tokens from the second iteration. Against strong single-iteration Qwen3 models finetuned with the same data, it also delivers 4.0-5.0% accuracy gains. When allowing less than 3% additional parameters from LoRA and the iteration decider, the gains increase to 8.5-12.6% and 5.3-5.4%, respectively. Our code is available at https://github.com/thu-nics/TaH.

Simple linear attention language models balance the recall-throughput tradeoff

Recent work has shown that attention-based language models excel at recall, the ability to ground generations in tokens previously seen in context. However, the efficiency of attention-based models is bottle-necked during inference by the KV-cache's aggressive memory consumption. In this work, we explore whether we can improve language model efficiency (e.g. by reducing memory consumption) without compromising on recall. By applying experiments and theory to a broad set of architectures, we identify a key tradeoff between a model's state size and recall ability. We show that efficient alternatives to attention (e.g. H3, Mamba, RWKV) maintain a fixed-size recurrent state, but struggle at recall. We propose BASED a simple architecture combining linear and sliding window attention. By varying BASED window size and linear attention feature dimension, we can dial the state size and traverse the pareto frontier of the recall-memory tradeoff curve, recovering the full quality of attention on one end and the small state size of attention-alternatives on the other. We train language models up to 1.3b parameters and show that BASED matches the strongest sub-quadratic models (e.g. Mamba) in perplexity and outperforms them on real-world recall-intensive tasks by 6.22 accuracy points. Implementations of linear attention are often less efficient than optimized standard attention implementations. To make BASED competitive, we develop IO-aware algorithms that enable 24x higher throughput on language generation than FlashAttention-2, when generating 1024 tokens using 1.3b parameter models. Code for this work is provided at: https://github.com/HazyResearch/based.

  • 9 authors
·
Feb 28, 2024 12

The Ethics of ChatGPT in Medicine and Healthcare: A Systematic Review on Large Language Models (LLMs)

With the introduction of ChatGPT, Large Language Models (LLMs) have received enormous attention in healthcare. Despite their potential benefits, researchers have underscored various ethical implications. While individual instances have drawn much attention, the debate lacks a systematic overview of practical applications currently researched and ethical issues connected to them. Against this background, this work aims to map the ethical landscape surrounding the current stage of deployment of LLMs in medicine and healthcare. Electronic databases and preprint servers were queried using a comprehensive search strategy. Studies were screened and extracted following a modified rapid review approach. Methodological quality was assessed using a hybrid approach. For 53 records, a meta-aggregative synthesis was performed. Four fields of applications emerged and testify to a vivid exploration phase. Advantages of using LLMs are attributed to their capacity in data analysis, personalized information provisioning, support in decision-making, mitigating information loss and enhancing information accessibility. However, we also identifies recurrent ethical concerns connected to fairness, bias, non-maleficence, transparency, and privacy. A distinctive concern is the tendency to produce harmful misinformation or convincingly but inaccurate content. A recurrent plea for ethical guidance and human oversight is evident. Given the variety of use cases, it is suggested that the ethical guidance debate be reframed to focus on defining what constitutes acceptable human oversight across the spectrum of applications. This involves considering diverse settings, varying potentials for harm, and different acceptable thresholds for performance and certainty in healthcare. In addition, a critical inquiry is necessary to determine the extent to which the current experimental use of LLMs is necessary and justified.

  • 2 authors
·
Mar 21, 2024

Implicit Reasoning in Large Language Models: A Comprehensive Survey

Large Language Models (LLMs) have demonstrated strong generalization across a wide range of tasks. Reasoning with LLMs is central to solving multi-step problems and complex decision-making. To support efficient reasoning, recent studies have shifted attention from explicit chain-of-thought prompting toward implicit reasoning, where reasoning occurs silently via latent structures without emitting intermediate textual steps. Implicit reasoning brings advantages such as lower generation cost, faster inference, and better alignment with internal computation. Although prior surveys have discussed latent representations in the context of reasoning, a dedicated and mechanism-level examination of how reasoning unfolds internally within LLMs remains absent. This survey fills that gap by introducing a taxonomy centered on execution paradigms, shifting the focus from representational forms to computational strategies. We organize existing methods into three execution paradigms based on \textit{how and where internal computation unfolds}: latent optimization, signal-guided control, and layer-recurrent execution. We also review structural, behavioral and representation-based evidence that supports the presence of implicit reasoning in LLMs. We further provide a structured overview of the evaluation metrics and benchmarks used in existing works to assess the effectiveness and reliability of implicit reasoning. We maintain a continuously updated project at: https://github.com/digailab/awesome-llm-implicit-reasoning.

  • 9 authors
·
Sep 2

Revealing Fine-Grained Values and Opinions in Large Language Models

Uncovering latent values and opinions in large language models (LLMs) can help identify biases and mitigate potential harm. Recently, this has been approached by presenting LLMs with survey questions and quantifying their stances towards morally and politically charged statements. However, the stances generated by LLMs can vary greatly depending on how they are prompted, and there are many ways to argue for or against a given position. In this work, we propose to address this by analysing a large and robust dataset of 156k LLM responses to the 62 propositions of the Political Compass Test (PCT) generated by 6 LLMs using 420 prompt variations. We perform coarse-grained analysis of their generated stances and fine-grained analysis of the plain text justifications for those stances. For fine-grained analysis, we propose to identify tropes in the responses: semantically similar phrases that are recurrent and consistent across different prompts, revealing patterns in the text that a given LLM is prone to produce. We find that demographic features added to prompts significantly affect outcomes on the PCT, reflecting bias, as well as disparities between the results of tests when eliciting closed-form vs. open domain responses. Additionally, patterns in the plain text rationales via tropes show that similar justifications are repeatedly generated across models and prompts even with disparate stances.

  • 6 authors
·
Jun 27, 2024 1

Layerwise Recurrent Router for Mixture-of-Experts

The scaling of large language models (LLMs) has revolutionized their capabilities in various tasks, yet this growth must be matched with efficient computational strategies. The Mixture-of-Experts (MoE) architecture stands out for its ability to scale model size without significantly increasing training costs. Despite their advantages, current MoE models often display parameter inefficiency. For instance, a pre-trained MoE-based LLM with 52 billion parameters might perform comparably to a standard model with 6.7 billion parameters. Being a crucial part of MoE, current routers in different layers independently assign tokens without leveraging historical routing information, potentially leading to suboptimal token-expert combinations and the parameter inefficiency problem. To alleviate this issue, we introduce the Layerwise Recurrent Router for Mixture-of-Experts (RMoE). RMoE leverages a Gated Recurrent Unit (GRU) to establish dependencies between routing decisions across consecutive layers. Such layerwise recurrence can be efficiently parallelly computed for input tokens and introduces negotiable costs. Our extensive empirical evaluations demonstrate that RMoE-based language models consistently outperform a spectrum of baseline models. Furthermore, RMoE integrates a novel computation stage orthogonal to existing methods, allowing seamless compatibility with other MoE architectures. Our analyses attribute RMoE's gains to its effective cross-layer information sharing, which also improves expert selection and diversity. Our code is at https://github.com/qiuzh20/RMoE

  • 7 authors
·
Aug 13, 2024 2

VideoLLaMB: Long-context Video Understanding with Recurrent Memory Bridges

Recent advancements in large-scale video-language models have shown significant potential for real-time planning and detailed interactions. However, their high computational demands and the scarcity of annotated datasets limit their practicality for academic researchers. In this work, we introduce VideoLLaMB, a novel framework that utilizes temporal memory tokens within bridge layers to allow for the encoding of entire video sequences alongside historical visual data, effectively preserving semantic continuity and enhancing model performance across various tasks. This approach includes recurrent memory tokens and a SceneTilling algorithm, which segments videos into independent semantic units to preserve semantic integrity. Empirically, VideoLLaMB significantly outstrips existing video-language models, demonstrating a 5.5 points improvement over its competitors across three VideoQA benchmarks, and 2.06 points on egocentric planning. Comprehensive results on the MVBench show that VideoLLaMB-7B achieves markedly better results than previous 7B models of same LLM. Remarkably, it maintains robust performance as PLLaVA even as video length increases up to 8 times. Besides, the frame retrieval results on our specialized Needle in a Video Haystack (NIAVH) benchmark, further validate VideoLLaMB's prowess in accurately identifying specific frames within lengthy videos. Our SceneTilling algorithm also enables the generation of streaming video captions directly, without necessitating additional training. In terms of efficiency, VideoLLaMB, trained on 16 frames, supports up to 320 frames on a single Nvidia A100 GPU with linear GPU memory scaling, ensuring both high performance and cost-effectiveness, thereby setting a new foundation for long-form video-language models in both academic and practical applications.

  • 4 authors
·
Sep 2, 2024 6

xLSTM 7B: A Recurrent LLM for Fast and Efficient Inference

Recent breakthroughs in solving reasoning, math and coding problems with Large Language Models (LLMs) have been enabled by investing substantial computation budgets at inference time. Therefore, inference speed is one of the most critical properties of LLM architectures, and there is a growing need for LLMs that are efficient and fast at inference. Recently, LLMs built on the xLSTM architecture have emerged as a powerful alternative to Transformers, offering linear compute scaling with sequence length and constant memory usage, both highly desirable properties for efficient inference. However, such xLSTM-based LLMs have yet to be scaled to larger models and assessed and compared with respect to inference speed and efficiency. In this work, we introduce xLSTM 7B, a 7-billion-parameter LLM that combines xLSTM's architectural benefits with targeted optimizations for fast and efficient inference. Our experiments demonstrate that xLSTM 7B achieves performance on downstream tasks comparable to other similar-sized LLMs, while providing significantly faster inference speeds and greater efficiency compared to Llama- and Mamba-based LLMs. These results establish xLSTM 7B as the fastest and most efficient 7B LLM, offering a solution for tasks that require large amounts of test-time computation. Our work highlights xLSTM's potential as a foundational architecture for methods building on heavy use of LLM inference. Our model weights, model code and training code are open-source.

  • 8 authors
·
Mar 17

Stuffed Mamba: State Collapse and State Capacity of RNN-Based Long-Context Modeling

One essential advantage of recurrent neural networks (RNNs) over transformer-based language models is their linear computational complexity concerning the sequence length, which makes them much faster in handling long sequences during inference. However, most publicly available RNNs (e.g., Mamba and RWKV) are trained on sequences with less than 10K tokens, and their effectiveness in longer contexts remains largely unsatisfying so far. In this paper, we study the cause of the inability to process long context for RNNs and suggest critical mitigations. We examine two practical concerns when applying state-of-the-art RNNs to long contexts: (1) the inability to extrapolate to inputs longer than the training length and (2) the upper bound of memory capacity. Addressing the first concern, we first investigate *state collapse* (SC), a phenomenon that causes severe performance degradation on sequence lengths not encountered during training. With controlled experiments, we attribute this to overfitting due to the recurrent state being overparameterized for the training length. For the second concern, we train a series of Mamba-2 models on long documents to empirically estimate the recurrent state capacity in language modeling and passkey retrieval. Then, three SC mitigation methods are proposed to improve Mamba-2's length generalizability, allowing the model to process more than 1M tokens without SC. We also find that the recurrent state capacity in passkey retrieval scales exponentially to the state size, and we empirically train a Mamba-2 370M with near-perfect passkey retrieval accuracy on 256K context length. This suggests a promising future for RNN-based long-context modeling.

  • 6 authors
·
Oct 9, 2024 3

Controlled Caption Generation for Images Through Adversarial Attacks

Deep learning is found to be vulnerable to adversarial examples. However, its adversarial susceptibility in image caption generation is under-explored. We study adversarial examples for vision and language models, which typically adopt an encoder-decoder framework consisting of two major components: a Convolutional Neural Network (i.e., CNN) for image feature extraction and a Recurrent Neural Network (RNN) for caption generation. In particular, we investigate attacks on the visual encoder's hidden layer that is fed to the subsequent recurrent network. The existing methods either attack the classification layer of the visual encoder or they back-propagate the gradients from the language model. In contrast, we propose a GAN-based algorithm for crafting adversarial examples for neural image captioning that mimics the internal representation of the CNN such that the resulting deep features of the input image enable a controlled incorrect caption generation through the recurrent network. Our contribution provides new insights for understanding adversarial attacks on vision systems with language component. The proposed method employs two strategies for a comprehensive evaluation. The first examines if a neural image captioning system can be misled to output targeted image captions. The second analyzes the possibility of keywords into the predicted captions. Experiments show that our algorithm can craft effective adversarial images based on the CNN hidden layers to fool captioning framework. Moreover, we discover the proposed attack to be highly transferable. Our work leads to new robustness implications for neural image captioning.

  • 5 authors
·
Jul 7, 2021

A Survey of Neural Code Intelligence: Paradigms, Advances and Beyond

Neural Code Intelligence -- leveraging deep learning to understand, generate, and optimize code -- holds immense potential for transformative impacts on the whole society. Bridging the gap between Natural Language and Programming Language, this domain has drawn significant attention from researchers in both research communities over the past few years. This survey presents a systematic and chronological review of the advancements in code intelligence, encompassing over 50 representative models and their variants, more than 20 categories of tasks, and an extensive coverage of over 680 related works. We follow the historical progression to trace the paradigm shifts across different research phases (e.g., from modeling code with recurrent neural networks to the era of Large Language Models). Concurrently, we highlight the major technical transitions in models, tasks, and evaluations spanning through different stages. For applications, we also observe a co-evolving shift. It spans from initial endeavors to tackling specific scenarios, through exploring a diverse array of tasks during its rapid expansion, to currently focusing on tackling increasingly complex and varied real-world challenges. Building on our examination of the developmental trajectories, we further investigate the emerging synergies between code intelligence and broader machine intelligence, uncovering new cross-domain opportunities and illustrating the substantial influence of code intelligence across various domains. Finally, we delve into both the opportunities and challenges associated with this field, alongside elucidating our insights on the most promising research directions. An ongoing, dynamically updated project and resources associated with this survey have been released at https://github.com/QiushiSun/NCISurvey.

  • 18 authors
·
Mar 21, 2024

POINT$^{2}$: A Polymer Informatics Training and Testing Database

The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric materials. However, the field lacks a standardized workflow that encompasses prediction accuracy, uncertainty quantification, ML interpretability, and polymer synthesizability. In this study, we introduce POINT^{2} (POlymer INformatics Training and Testing), a comprehensive benchmark database and protocol designed to address these critical challenges. Leveraging the existing labeled datasets and the unlabeled PI1M dataset, a collection of approximately one million virtual polymers generated via a recurrent neural network trained on the realistic polymers, we develop an ensemble of ML models, including Quantile Random Forests, Multilayer Perceptrons with dropout, Graph Neural Networks, and pretrained large language models. These models are coupled with diverse polymer representations such as Morgan, MACCS, RDKit, Topological, Atom Pair fingerprints, and graph-based descriptors to achieve property predictions, uncertainty estimations, model interpretability, and template-based polymerization synthesizability across a spectrum of properties, including gas permeability, thermal conductivity, glass transition temperature, melting temperature, fractional free volume, and density. The POINT^{2} database can serve as a valuable resource for the polymer informatics community for polymer discovery and optimization.

  • 5 authors
·
Mar 30

Hungry Hungry Hippos: Towards Language Modeling with State Space Models

State space models (SSMs) have demonstrated state-of-the-art sequence modeling performance in some modalities, but underperform attention in language modeling. Moreover, despite scaling nearly linearly in sequence length instead of quadratically, SSMs are still slower than Transformers due to poor hardware utilization. In this paper, we make progress on understanding the expressivity gap between SSMs and attention in language modeling, and on reducing the hardware barrier between SSMs and attention. First, we use synthetic language modeling tasks to understand the gap between SSMs and attention. We find that existing SSMs struggle with two capabilities: recalling earlier tokens in the sequence and comparing tokens across the sequence. To understand the impact on language modeling, we propose a new SSM layer, H3, that is explicitly designed for these abilities. H3 matches attention on the synthetic languages and comes within 0.4 PPL of Transformers on OpenWebText. Furthermore, a hybrid 125M-parameter H3-attention model that retains two attention layers surprisingly outperforms Transformers on OpenWebText by 1.0 PPL. Next, to improve the efficiency of training SSMs on modern hardware, we propose FlashConv. FlashConv uses a fused block FFT algorithm to improve efficiency on sequences up to 8K, and introduces a novel state passing algorithm that exploits the recurrent properties of SSMs to scale to longer sequences. FlashConv yields 2times speedup on the long-range arena benchmark and allows hybrid language models to generate text 2.4times faster than Transformers. Using FlashConv, we scale hybrid H3-attention language models up to 2.7B parameters on the Pile and find promising initial results, achieving lower perplexity than Transformers and outperforming Transformers in zero- and few-shot learning on a majority of tasks in the SuperGLUE benchmark.

  • 6 authors
·
Dec 28, 2022 1

Learning meters of Arabic and English poems with Recurrent Neural Networks: a step forward for language understanding and synthesis

Recognizing a piece of writing as a poem or prose is usually easy for the majority of people; however, only specialists can determine which meter a poem belongs to. In this paper, we build Recurrent Neural Network (RNN) models that can classify poems according to their meters from plain text. The input text is encoded at the character level and directly fed to the models without feature handcrafting. This is a step forward for machine understanding and synthesis of languages in general, and Arabic language in particular. Among the 16 poem meters of Arabic and the 4 meters of English the networks were able to correctly classify poem with an overall accuracy of 96.38\% and 82.31\% respectively. The poem datasets used to conduct this research were massive, over 1.5 million of verses, and were crawled from different nontechnical sources, almost Arabic and English literature sites, and in different heterogeneous and unstructured formats. These datasets are now made publicly available in clean, structured, and documented format for other future research. To the best of the authors' knowledge, this research is the first to address classifying poem meters in a machine learning approach, in general, and in RNN featureless based approach, in particular. In addition, the dataset is the first publicly available dataset ready for the purpose of future computational research.

  • 4 authors
·
May 7, 2019

HMT: Hierarchical Memory Transformer for Long Context Language Processing

Transformer-based large language models (LLM) have been widely used in language processing applications. However, most of them restrict the context window that permits the model to attend to every token in the inputs. Previous works in recurrent models can memorize past tokens to enable unlimited context and maintain effectiveness. However, they have "flat" memory architectures, which have limitations in selecting and filtering information. Since humans are good at learning and self-adjustment, we speculate that imitating brain memory hierarchy is beneficial for model memorization. We propose the Hierarchical Memory Transformer (HMT), a novel framework that enables and improves models' long-context processing ability by imitating human memorization behavior. Leveraging memory-augmented segment-level recurrence, we organize the memory hierarchy by preserving tokens from early input token segments, passing memory embeddings along the sequence, and recalling relevant information from history. Evaluating general language modeling (Wikitext-103, PG-19) and question-answering tasks (PubMedQA), we show that HMT steadily improves the long-context processing ability of context-constrained and long-context models. With an additional 0.5% - 2% of parameters, HMT can easily plug in and augment future LLMs to handle long context effectively. Our code is open-sourced on Github: https://github.com/OswaldHe/HMT-pytorch.

  • 5 authors
·
May 9, 2024

In-Context Language Learning: Architectures and Algorithms

Large-scale neural language models exhibit a remarkable capacity for in-context learning (ICL): they can infer novel functions from datasets provided as input. Most of our current understanding of when and how ICL arises comes from LMs trained on extremely simple learning problems like linear regression and associative recall. There remains a significant gap between these model problems and the "real" ICL exhibited by LMs trained on large text corpora, which involves not just retrieval and function approximation but free-form generation of language and other structured outputs. In this paper, we study ICL through the lens of a new family of model problems we term in context language learning (ICLL). In ICLL, LMs are presented with a set of strings from a formal language, and must generate additional strings from the same language. We focus on in-context learning of regular languages generated by random finite automata. We evaluate a diverse set of neural sequence models (including several RNNs, Transformers, and state-space model variants) on regular ICLL tasks, aiming to answer three questions: (1) Which model classes are empirically capable of ICLL? (2) What algorithmic solutions do successful models implement to perform ICLL? (3) What architectural changes can improve ICLL in less performant models? We first show that Transformers significantly outperform neural sequence models with recurrent or convolutional representations on ICLL tasks. Next, we provide evidence that their ability to do so relies on specialized "n-gram heads" (higher-order variants of induction heads) that compute input-conditional next-token distributions. Finally, we show that hard-wiring these heads into neural models improves performance not just on ICLL, but natural language modeling -- improving the perplexity of 340M-parameter models by up to 1.14 points (6.7%) on the SlimPajama dataset.

  • 4 authors
·
Jan 23, 2024

The Languini Kitchen: Enabling Language Modelling Research at Different Scales of Compute

The Languini Kitchen serves as both a research collective and codebase designed to empower researchers with limited computational resources to contribute meaningfully to the field of language modelling. We introduce an experimental protocol that enables model comparisons based on equivalent compute, measured in accelerator hours. The number of tokens on which a model is trained is defined by the model's throughput and the chosen compute class. Notably, this approach avoids constraints on critical hyperparameters which affect total parameters or floating-point operations. For evaluation, we pre-process an existing large, diverse, and high-quality dataset of books that surpasses existing academic benchmarks in quality, diversity, and document length. On it, we compare methods based on their empirical scaling trends which are estimated through experiments at various levels of compute. This work also provides two baseline models: a feed-forward model derived from the GPT-2 architecture and a recurrent model in the form of a novel LSTM with ten-fold throughput. While the GPT baseline achieves better perplexity throughout all our levels of compute, our LSTM baseline exhibits a predictable and more favourable scaling law. This is due to the improved throughput and the need for fewer training tokens to achieve the same decrease in test perplexity. Extrapolating the scaling laws leads of both models results in an intersection at roughly 50,000 accelerator hours. We hope this work can serve as the foundation for meaningful and reproducible language modelling research.

  • 8 authors
·
Sep 20, 2023 1

Long-term Recurrent Convolutional Networks for Visual Recognition and Description

Models based on deep convolutional networks have dominated recent image interpretation tasks; we investigate whether models which are also recurrent, or "temporally deep", are effective for tasks involving sequences, visual and otherwise. We develop a novel recurrent convolutional architecture suitable for large-scale visual learning which is end-to-end trainable, and demonstrate the value of these models on benchmark video recognition tasks, image description and retrieval problems, and video narration challenges. In contrast to current models which assume a fixed spatio-temporal receptive field or simple temporal averaging for sequential processing, recurrent convolutional models are "doubly deep"' in that they can be compositional in spatial and temporal "layers". Such models may have advantages when target concepts are complex and/or training data are limited. Learning long-term dependencies is possible when nonlinearities are incorporated into the network state updates. Long-term RNN models are appealing in that they directly can map variable-length inputs (e.g., video frames) to variable length outputs (e.g., natural language text) and can model complex temporal dynamics; yet they can be optimized with backpropagation. Our recurrent long-term models are directly connected to modern visual convnet models and can be jointly trained to simultaneously learn temporal dynamics and convolutional perceptual representations. Our results show such models have distinct advantages over state-of-the-art models for recognition or generation which are separately defined and/or optimized.

  • 7 authors
·
Nov 17, 2014

A Neural Network Architecture Combining Gated Recurrent Unit (GRU) and Support Vector Machine (SVM) for Intrusion Detection in Network Traffic Data

Gated Recurrent Unit (GRU) is a recently-developed variation of the long short-term memory (LSTM) unit, both of which are types of recurrent neural network (RNN). Through empirical evidence, both models have been proven to be effective in a wide variety of machine learning tasks such as natural language processing (Wen et al., 2015), speech recognition (Chorowski et al., 2015), and text classification (Yang et al., 2016). Conventionally, like most neural networks, both of the aforementioned RNN variants employ the Softmax function as its final output layer for its prediction, and the cross-entropy function for computing its loss. In this paper, we present an amendment to this norm by introducing linear support vector machine (SVM) as the replacement for Softmax in the final output layer of a GRU model. Furthermore, the cross-entropy function shall be replaced with a margin-based function. While there have been similar studies (Alalshekmubarak & Smith, 2013; Tang, 2013), this proposal is primarily intended for binary classification on intrusion detection using the 2013 network traffic data from the honeypot systems of Kyoto University. Results show that the GRU-SVM model performs relatively higher than the conventional GRU-Softmax model. The proposed model reached a training accuracy of ~81.54% and a testing accuracy of ~84.15%, while the latter was able to reach a training accuracy of ~63.07% and a testing accuracy of ~70.75%. In addition, the juxtaposition of these two final output layers indicate that the SVM would outperform Softmax in prediction time - a theoretical implication which was supported by the actual training and testing time in the study.

  • 1 authors
·
Sep 10, 2017

ViR: Vision Retention Networks

Vision Transformers (ViTs) have attracted a lot of popularity in recent years, due to their exceptional capabilities in modeling long-range spatial dependencies and scalability for large scale training. Although the training parallelism of self-attention mechanism plays an important role in retaining great performance, its quadratic complexity baffles the application of ViTs in many scenarios which demand fast inference. This effect is even more pronounced in applications in which autoregressive modeling of input features is required. In Natural Language Processing (NLP), a new stream of efforts have proposed parallelizable models with recurrent formulation that allows for efficient inference in generative applications. Inspired by this trend, we propose a new class of computer vision models, dubbed Vision Retention Networks (ViR), with dual parallel and recurrent formulations, which strike an optimal balance between fast inference and parallel training with competitive performance. In particular, ViR scales favorably for image throughput and memory consumption in tasks that require higher-resolution images due to its flexible formulation in processing large sequence lengths. The ViR is the first attempt to realize dual parallel and recurrent equivalency in a general vision backbone for recognition tasks. We have validated the effectiveness of ViR through extensive experiments with different dataset sizes and various image resolutions and achieved competitive performance. Our code and pretrained models will be made publicly available.

  • 3 authors
·
Oct 30, 2023 1

Titans: Learning to Memorize at Test Time

Over more than a decade there has been an extensive research effort on how to effectively utilize recurrent models and attention. While recurrent models aim to compress the data into a fixed-size memory (called hidden state), attention allows attending to the entire context window, capturing the direct dependencies of all tokens. This more accurate modeling of dependencies, however, comes with a quadratic cost, limiting the model to a fixed-length context. We present a new neural long-term memory module that learns to memorize historical context and helps attention to attend to the current context while utilizing long past information. We show that this neural memory has the advantage of fast parallelizable training while maintaining a fast inference. From a memory perspective, we argue that attention due to its limited context but accurate dependency modeling performs as a short-term memory, while neural memory due to its ability to memorize the data, acts as a long-term, more persistent, memory. Based on these two modules, we introduce a new family of architectures, called Titans, and present three variants to address how one can effectively incorporate memory into this architecture. Our experimental results on language modeling, common-sense reasoning, genomics, and time series tasks show that Titans are more effective than Transformers and recent modern linear recurrent models. They further can effectively scale to larger than 2M context window size with higher accuracy in needle-in-haystack tasks compared to baselines.

  • 3 authors
·
Dec 31, 2024 3

ATLAS: Learning to Optimally Memorize the Context at Test Time

Transformers have been established as the most popular backbones in sequence modeling, mainly due to their effectiveness in in-context retrieval tasks and the ability to learn at scale. Their quadratic memory and time complexity, however, bound their applicability in longer sequences and so has motivated researchers to explore effective alternative architectures such as modern recurrent neural networks (a.k.a long-term recurrent memory module). Despite their recent success in diverse downstream tasks, they struggle in tasks that requires long context understanding and extrapolation to longer sequences. We observe that these shortcomings come from three disjoint aspects in their design: (1) limited memory capacity that is bounded by the architecture of memory and feature mapping of the input; (2) online nature of update, i.e., optimizing the memory only with respect to the last input; and (3) less expressive management of their fixed-size memory. To enhance all these three aspects, we present ATLAS, a long-term memory module with high capacity that learns to memorize the context by optimizing the memory based on the current and past tokens, overcoming the online nature of long-term memory models. Building on this insight, we present a new family of Transformer-like architectures, called DeepTransformers, that are strict generalizations of the original Transformer architecture. Our experimental results on language modeling, common-sense reasoning, recall-intensive, and long-context understanding tasks show that ATLAS surpasses the performance of Transformers and recent linear recurrent models. ATLAS further improves the long context performance of Titans, achieving +80\% accuracy in 10M context length of BABILong benchmark.

  • 8 authors
·
May 29 3

AR-Net: A simple Auto-Regressive Neural Network for time-series

In this paper we present a new framework for time-series modeling that combines the best of traditional statistical models and neural networks. We focus on time-series with long-range dependencies, needed for monitoring fine granularity data (e.g. minutes, seconds, milliseconds), prevalent in operational use-cases. Traditional models, such as auto-regression fitted with least squares (Classic-AR) can model time-series with a concise and interpretable model. When dealing with long-range dependencies, Classic-AR models can become intractably slow to fit for large data. Recently, sequence-to-sequence models, such as Recurrent Neural Networks, which were originally intended for natural language processing, have become popular for time-series. However, they can be overly complex for typical time-series data and lack interpretability. A scalable and interpretable model is needed to bridge the statistical and deep learning-based approaches. As a first step towards this goal, we propose modelling AR-process dynamics using a feed-forward neural network approach, termed AR-Net. We show that AR-Net is as interpretable as Classic-AR but also scales to long-range dependencies. Our results lead to three major conclusions: First, AR-Net learns identical AR-coefficients as Classic-AR, thus being equally interpretable. Second, the computational complexity with respect to the order of the AR process, is linear for AR-Net as compared to a quadratic for Classic-AR. This makes it possible to model long-range dependencies within fine granularity data. Third, by introducing regularization, AR-Net automatically selects and learns sparse AR-coefficients. This eliminates the need to know the exact order of the AR-process and allows to learn sparse weights for a model with long-range dependencies.

  • 3 authors
·
Nov 27, 2019

It's All Connected: A Journey Through Test-Time Memorization, Attentional Bias, Retention, and Online Optimization

Designing efficient and effective architectural backbones has been in the core of research efforts to enhance the capability of foundation models. Inspired by the human cognitive phenomenon of attentional bias-the natural tendency to prioritize certain events or stimuli-we reconceptualize neural architectures, including Transformers, Titans, and modern linear recurrent neural networks as associative memory modules that learn a mapping of keys and values using an internal objective, referred to as attentional bias. Surprisingly, we observed that most existing sequence models leverage either (1) dot-product similarity, or (2) L2 regression objectives as their attentional bias. Going beyond these objectives, we present a set of alternative attentional bias configurations along with their effective approximations to stabilize their training procedure. We then reinterpret forgetting mechanisms in modern deep learning architectures as a form of retention regularization, providing a novel set of forget gates for sequence models. Building upon these insights, we present Miras, a general framework to design deep learning architectures based on four choices of: (i) associative memory architecture, (ii) attentional bias objective, (iii) retention gate, and (iv) memory learning algorithm. We present three novel sequence models-Moneta, Yaad, and Memora-that go beyond the power of existing linear RNNs while maintaining a fast parallelizable training process. Our experiments show different design choices in Miras yield models with varying strengths. For example, certain instances of Miras achieve exceptional performance in special tasks such as language modeling, commonsense reasoning, and recall intensive tasks, even outperforming Transformers and other modern linear recurrent models.

  • 4 authors
·
Apr 17 4

TiRex: Zero-Shot Forecasting Across Long and Short Horizons with Enhanced In-Context Learning

In-context learning, the ability of large language models to perform tasks using only examples provided in the prompt, has recently been adapted for time series forecasting. This paradigm enables zero-shot prediction, where past values serve as context for forecasting future values, making powerful forecasting tools accessible to non-experts and increasing the performance when training data are scarce. Most existing zero-shot forecasting approaches rely on transformer architectures, which, despite their success in language, often fall short of expectations in time series forecasting, where recurrent models like LSTMs frequently have the edge. Conversely, while LSTMs are well-suited for time series modeling due to their state-tracking capabilities, they lack strong in-context learning abilities. We introduce TiRex that closes this gap by leveraging xLSTM, an enhanced LSTM with competitive in-context learning skills. Unlike transformers, state-space models, or parallelizable RNNs such as RWKV, TiRex retains state-tracking, a critical property for long-horizon forecasting. To further facilitate its state-tracking ability, we propose a training-time masking strategy called CPM. TiRex sets a new state of the art in zero-shot time series forecasting on the HuggingFace benchmarks GiftEval and Chronos-ZS, outperforming significantly larger models including TabPFN-TS (Prior Labs), Chronos Bolt (Amazon), TimesFM (Google), and Moirai (Salesforce) across both short- and long-term forecasts.

  • 6 authors
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May 29