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Oct 23

I Predict Therefore I Am: Is Next Token Prediction Enough to Learn Human-Interpretable Concepts from Data?

The remarkable achievements of large language models (LLMs) have led many to conclude that they exhibit a form of intelligence. This is as opposed to explanations of their capabilities based on their ability to perform relatively simple manipulations of vast volumes of data. To illuminate the distinction between these explanations, we introduce a novel generative model that generates tokens on the basis of human-interpretable concepts represented as latent discrete variables. Under mild conditions, even when the mapping from the latent space to the observed space is non-invertible, we establish an identifiability result, i.e., the representations learned by LLMs through next-token prediction can be approximately modeled as the logarithm of the posterior probabilities of these latent discrete concepts given input context, up to an invertible linear transformation. This theoretical finding not only provides evidence that LLMs capture underlying generative factors, but also provide a unified prospective for understanding of the linear representation hypothesis. Taking this a step further, our finding motivates a reliable evaluation of sparse autoencoders by treating the performance of supervised concept extractors as an upper bound. Pushing this idea even further, it inspires a structural variant that enforces dependence among latent concepts in addition to promoting sparsity. Empirically, we validate our theoretical results through evaluations on both simulation data and the Pythia, Llama, and DeepSeek model families, and demonstrate the effectiveness of our structured sparse autoencoder.

  • 9 authors
·
Mar 11, 2025

Enhancing Visual Planning with Auxiliary Tasks and Multi-token Prediction

Visual Planning for Assistance (VPA) aims to predict a sequence of user actions required to achieve a specified goal based on a video showing the user's progress. Although recent advances in multimodal large language models (MLLMs) have shown promising results in video understanding, long-horizon visual planning remains a challenging problem. We identify two challenges in training large MLLMs for video-based planning tasks: (1) scarcity of procedural annotations, limiting the model's ability to learn procedural task dynamics effectively, and (2) inefficiency of next-token prediction objective to explicitly capture the structured action space for visual planning when compared to free-form, natural language. To tackle data scarcity, we introduce Auxiliary Task Augmentation. We design and train our model on auxiliary tasks relevant to long-horizon video-based planning (e.g., goal prediction) to augment the model's planning ability. To more explicitly model the structured action space unique to visual planning tasks, we leverage Multi-token Prediction, extending traditional next-token prediction by using multiple heads to predict multiple future tokens during training. Our approach, VideoPlan, achieves state-of-the-art VPA performance on the COIN and CrossTask datasets, surpassing prior methods by 7.3% and 3.4%, respectively, when predicting 3 future actions. We further extend our method to the challenging Ego4D Long-term Action Anticipation task, and show that it is on par with the state-of-the-art approaches despite not using specialized egocentric features. Code will be made available.

  • 7 authors
·
Jul 20, 2025

The Patient is not a Moving Document: A World Model Training Paradigm for Longitudinal EHR

Large language models (LLMs) trained with next-word-prediction have achieved success as clinical foundation models. Representations from these language backbones yield strong linear probe performance across biomedical tasks, suggesting that patient semantics emerge from next-token prediction at scale. However, this paradigm treats patients as a document to be summarized rather than a dynamical system to be simulated; a patient's trajectory emerges from their state evolving under interventions and time, requiring models that simulate dynamics rather than predict tokens. To address this, we introduce SMB-Structure, a world model for structured EHR that grounds a joint-embedding prediction architecture (JEPA) with next-token prediction (SFT). SFT grounds our model to reconstruct future patient states in token space, while JEPA predicts those futures in latent space from the initial patient representation alone, forcing trajectory dynamics to be encoded before the next state is observed. We validate across two large-scale cohorts: Memorial Sloan Kettering (23,319 oncology patients; 323,000+ patient-years) and INSPECT (19,402 pulmonary embolism patients). Using a linear probe evaluated at multiple points along the disease trajectory, we demonstrate that our training paradigm learns embeddings that capture disease dynamics not recoverable by autoregressive baselines, enabling SMB-Structure to achieve competitive performance on complex tasks characterized by high patient heterogeneity. Model weights are available at https://huggingface.co/standardmodelbio/SMB-v1-1.7B-Structure.

  • 8 authors
·
Jan 29

ReSpace: Text-Driven 3D Scene Synthesis and Editing with Preference Alignment

Scene synthesis and editing has emerged as a promising direction in computer graphics. Current trained approaches for 3D indoor scenes either oversimplify object semantics through one-hot class encodings (e.g., 'chair' or 'table'), require masked diffusion for editing, ignore room boundaries, or rely on floor plan renderings that fail to capture complex layouts. In contrast, LLM-based methods enable richer semantics via natural language (e.g., 'modern studio with light wood furniture') but do not support editing, remain limited to rectangular layouts or rely on weak spatial reasoning from implicit world models. We introduce ReSpace, a generative framework for text-driven 3D indoor scene synthesis and editing using autoregressive language models. Our approach features a compact structured scene representation with explicit room boundaries that frames scene editing as a next-token prediction task. We leverage a dual-stage training approach combining supervised fine-tuning and preference alignment, enabling a specially trained language model for object addition that accounts for user instructions, spatial geometry, object semantics, and scene-level composition. For scene editing, we employ a zero-shot LLM to handle object removal and prompts for addition. We further introduce a novel voxelization-based evaluation that captures fine-grained geometry beyond 3D bounding boxes. Experimental results surpass state-of-the-art on object addition while maintaining competitive results on full scene synthesis.

From Tokens to Blocks: A Block-Diffusion Perspective on Molecular Generation

Drug discovery can be viewed as a combinatorial search over an immense chemical space, motivating the development of deep generative models for de novo molecular design. Among these, GPT-based molecular language models (MLM) have shown strong molecular design performance by learning chemical syntax and semantics from large-scale data. However, existing MLMs face two fundamental limitations: they inadequately capture the graph-structured nature of molecules when formulated as next-token prediction problems, and they typically lack explicit mechanisms for target-aware generation. Here, we propose SoftMol, a unified framework that co-designs molecular representation, model architecture, and search strategy for target-aware molecular generation. SoftMol introduces soft fragments, a rule-free block representation of SMILES that enables diffusion-native modeling, and develops SoftBD, the first block-diffusion molecular language model that combines local bidirectional diffusion with autoregressive generation under molecular structural constraints. To favor generated molecules with high drug-likeness and synthetic accessibility, SoftBD is trained on a carefully curated dataset named ZINC-Curated. SoftMol further integrates a gated Monte Carlo tree search to assemble fragments in a target-aware manner. Experimental results show that, compared with current state-of-the-art models, SoftMol achieves 100% chemical validity, improves binding affinity by 9.7%, yields a 2-3x increase in molecular diversity, and delivers a 6.6x speedup in inference efficiency. Code is available at https://github.com/szu-aicourse/softmol

Better, Stronger, Faster, and Broader: Structured All-Mask Prediction for MLLM-Based Segmentation

MLLM-based segmentation faces a core segmentation trilemma: high segmentation performance, preserved dialogue ability, and fast inference. Embedding-prediction methods may disrupt language modeling through pixel-level objectives, whereas next-token generation is inefficient for dense masks. We propose All-Mask Prediction, decoupling autoregressive dialogue from non-autoregressive mask prediction. Its binary instantiation, STAMP (Simultaneous Textual All-Mask Prediction), emits an in-vocabulary <SEG> trigger, fuses image-aligned mask tokens with corresponding patch features, and uses hybrid attention to classify all tokens as foreground or background in one pass. It thereby combines strong referring and reasoning segmentation with preserved multimodal ability and efficient inference. However, binary masks cannot retain multiple semantic or instance identities without repeated target-specific predictions. We therefore propose Structured All-Mask Prediction and develop STAMPlus. It generates a target list with explicit IDs and optional boxes, binds these IDs to a shared multi-class mask space, and jointly predicts all targets in one non-autoregressive pass. A single unified checkpoint retains STAMP's referring and reasoning capabilities while extending to open-vocabulary semantic, instance-aware, and remote-sensing small-target segmentation, where high-resolution mask-token scaling preserves finer spatial evidence. Across these settings, STAMPlus achieves state-of-the-art segmentation performance, preserves general multimodal instruction following, and reduces 12-category latency from 13.50s for repeated STAMP inference to 5.16s. Further analyses show that accurate target cues improve segmentation and learned spatial grounding benefits look-twice reasoning. Overall, STAMPlus resolves the trilemma beyond single-target prediction.

UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion

Unified generation of sequence and structure for scientific data (e.g., materials, molecules, proteins) is a critical task. Existing approaches primarily rely on either autoregressive sequence models or diffusion models, each offering distinct advantages and facing notable limitations. Autoregressive models, such as GPT, Llama, and Phi-4, have demonstrated remarkable success in natural language generation and have been extended to multimodal tasks (e.g., image, video, and audio) using advanced encoders like VQ-VAE to represent complex modalities as discrete sequences. However, their direct application to scientific domains is challenging due to the high precision requirements and the diverse nature of scientific data. On the other hand, diffusion models excel at generating high-dimensional scientific data, such as protein, molecule, and material structures, with remarkable accuracy. Yet, their inability to effectively model sequences limits their potential as general-purpose multimodal foundation models. To address these challenges, we propose UniGenX, a unified framework that combines autoregressive next-token prediction with conditional diffusion models. This integration leverages the strengths of autoregressive models to ease the training of conditional diffusion models, while diffusion-based generative heads enhance the precision of autoregressive predictions. We validate the effectiveness of UniGenX on material and small molecule generation tasks, achieving a significant leap in state-of-the-art performance for material crystal structure prediction and establishing new state-of-the-art results for small molecule structure prediction, de novo design, and conditional generation. Notably, UniGenX demonstrates significant improvements, especially in handling long sequences for complex structures, showcasing its efficacy as a versatile tool for scientific data generation.

  • 25 authors
·
Mar 9, 2025

BioMatrix: Towards a Comprehensive Biological Foundation Model Spanning the Modality Matrix of Sequences, Structures, and Language

We present BioMatrix, the first multimodal foundation model that natively integrates sequences, structures, and natural language for both molecules and proteins within a single decoder-only architecture. Existing biological foundation models pursue native multimodality and broad entity coverage separately: those that fuse multiple modalities under a shared objective remain confined to a single entity type, while those spanning multiple entity types either omit explicit structural modeling or rely on adapter-based designs in which the model cannot natively generate the very modalities it can read. BioMatrix closes this gap by mapping molecular sequences (supporting both SMILES and SELFIES notations), molecular structures, protein sequences, protein structures, and natural language into a shared discrete token space through a unified tokenization scheme, so that all modalities are consumed and produced uniformly under a single next-token prediction objective -- without external encoders, projection adapters, or modality-specific output heads. Built upon the Qwen3 language model (1.7B and 4B), BioMatrix is continually pretrained on 304.4 billion tokens spanning general and domain-specific text, sequence and structure views of molecules and proteins, and cross-modal corpora that interleave biomolecular entities with scientific text and link distinct entities through molecule-protein and protein-protein interaction data. After tuning on a comprehensive suite of downstream applications covering 80 tasks across 6 categories -- encompassing single-entity and multi-entity understanding and generation tasks across and within modalities -- BioMatrix achieves state-of-the-art or competitive performance on 77 out of 80 tasks, demonstrating that a single, natively multimodal generalist model can effectively match or surpass specialized approaches across a wide range of biological tasks.

GASP: Unifying Geometric and Semantic Self-Supervised Pre-training for Autonomous Driving

Self-supervised pre-training based on next-token prediction has enabled large language models to capture the underlying structure of text, and has led to unprecedented performance on a large array of tasks when applied at scale. Similarly, autonomous driving generates vast amounts of spatiotemporal data, alluding to the possibility of harnessing scale to learn the underlying geometric and semantic structure of the environment and its evolution over time. In this direction, we propose a geometric and semantic self-supervised pre-training method, GASP, that learns a unified representation by predicting, at any queried future point in spacetime, (1) general occupancy, capturing the evolving structure of the 3D scene; (2) ego occupancy, modeling the ego vehicle path through the environment; and (3) distilled high-level features from a vision foundation model. By modeling geometric and semantic 4D occupancy fields instead of raw sensor measurements, the model learns a structured, generalizable representation of the environment and its evolution through time. We validate GASP on multiple autonomous driving benchmarks, demonstrating significant improvements in semantic occupancy forecasting, online mapping, and ego trajectory prediction. Our results demonstrate that continuous 4D geometric and semantic occupancy prediction provides a scalable and effective pre-training paradigm for autonomous driving. For code and additional visualizations, see \href{https://research.zenseact.com/publications/gasp/.

  • 9 authors
·
Mar 19, 2025 2

Unlocking Lossless Speedups in LLMs via Discrete Diffusion

Large Language Models (LLMs) owe much of their success to next-token prediction (NTP), but their autoregressive (AR) structure requires slow, sequential token generation. To overcome this bottleneck, we introduce diffusion-augmented LLMs, a new class of models that defines an AR model distribution while using diffusion to draw multiple tokens in parallel from that distribution. We decouple the parameters of these models into two sets: AR weights, trained using the standard NTP objective, and lightweight diffusion weights, trained to generate multiple tokens simultaneously. The diffusion weights are learned through a simple Diffusion Distillation phase that adds negligible overhead to existing LLM training pipelines. We also introduce Ψ-Spec, a family of samplers that enables lossless acceleration and inference-time scaling at a fixed context length. Unlike speculative decoding, our method requires no separate draft model. Unlike diffusion LLMs (d-LLMs), it accelerates generation without sacrificing the quality of the underlying AR model. The resulting models, called Uno, can be trained from scratch or built by augmenting existing open-weight AR LLMs. Uno achieves higher throughput than leading speculative-decoding methods at every evaluated batch size and delivers up to 3times speedups over the base AR model, including at the largest batch size supported by the device. Notably, our 8B Uno model outperforms the leading open d-LLM, the 26B DiffusionGemma, and the proprietary Mercury 2 across all evaluated benchmarks in agentic tool use, coding, and long-context reasoning. We release code and checkpoints at: https://s-sahoo.github.io/uno/

FlowAR: Scale-wise Autoregressive Image Generation Meets Flow Matching

Autoregressive (AR) modeling has achieved remarkable success in natural language processing by enabling models to generate text with coherence and contextual understanding through next token prediction. Recently, in image generation, VAR proposes scale-wise autoregressive modeling, which extends the next token prediction to the next scale prediction, preserving the 2D structure of images. However, VAR encounters two primary challenges: (1) its complex and rigid scale design limits generalization in next scale prediction, and (2) the generator's dependence on a discrete tokenizer with the same complex scale structure restricts modularity and flexibility in updating the tokenizer. To address these limitations, we introduce FlowAR, a general next scale prediction method featuring a streamlined scale design, where each subsequent scale is simply double the previous one. This eliminates the need for VAR's intricate multi-scale residual tokenizer and enables the use of any off-the-shelf Variational AutoEncoder (VAE). Our simplified design enhances generalization in next scale prediction and facilitates the integration of Flow Matching for high-quality image synthesis. We validate the effectiveness of FlowAR on the challenging ImageNet-256 benchmark, demonstrating superior generation performance compared to previous methods. Codes will be available at https://github.com/OliverRensu/FlowAR.

  • 6 authors
·
Dec 19, 2024

YuE: Scaling Open Foundation Models for Long-Form Music Generation

We tackle the task of long-form music generation--particularly the challenging lyrics-to-song problem--by introducing YuE, a family of open foundation models based on the LLaMA2 architecture. Specifically, YuE scales to trillions of tokens and generates up to five minutes of music while maintaining lyrical alignment, coherent musical structure, and engaging vocal melodies with appropriate accompaniment. It achieves this through (1) track-decoupled next-token prediction to overcome dense mixture signals, (2) structural progressive conditioning for long-context lyrical alignment, and (3) a multitask, multiphase pre-training recipe to converge and generalize. In addition, we redesign the in-context learning technique for music generation, enabling versatile style transfer (e.g., converting Japanese city pop into an English rap while preserving the original accompaniment) and bidirectional generation. Through extensive evaluation, we demonstrate that YuE matches or even surpasses some of the proprietary systems in musicality and vocal agility. In addition, fine-tuning YuE enables additional controls and enhanced support for tail languages. Furthermore, beyond generation, we show that YuE's learned representations can perform well on music understanding tasks, where the results of YuE match or exceed state-of-the-art methods on the MARBLE benchmark. Keywords: lyrics2song, song generation, long-form, foundation model, music generation

  • 57 authors
·
Mar 11, 2025 3

SITS-DECO: A Generative Decoder Is All You Need For Multitask Satellite Image Time Series Modelling

Earth Observation (EO) Foundation Modelling (FM) holds great promise for simplifying and improving the use of EO data for diverse real-world tasks. However, most existing models require additional adaptation before they can be used and are structured rigidly around particular data sources or training approaches. To address this, we take inspiration from large language models, where diverse tasks, both pre-training and downstream, are implicitly captured through next-token prediction over unified token sequences, leveraging the structure and diversity of the training data. We introduce SITS-DECO (Satellite Image Time Series-DECoder Only), a proof-of-concept generative model that applies this unified-sequence framing to EO data. Using a simple GPT-style decoder-only architecture, and demonstrate its ability to perform useful EO tasks (pixel-wise, multi-temporal, multi-modal crop-type classification) in a purely generative framework. Through symbolic prompting, we show that the model can perform multiple supervised and self-supervised tasks within a single unified architecture, without task- or modality-specific adaptation. Despite its simplicity and lack of spatial context, SITS-DECO outperforms much larger EO foundation models on crop-type classification (PASTIS-R) demonstrating that dense temporal sequence modelling is a critical missing ingredient in the current paradigm. This work exemplifies a data-centric modelling paradigm in which capability arises from the diversity and structure of the training data rather than from architectural complexity. SITS-DECO provides a lightweight, practical route to multi-modal, multi-task EO modelling, and a conceptual bridge toward future generative EO foundation models.

  • 2 authors
·
Oct 21, 2025

GPC: Large-Scale Generative Pretraining for Transferable Motor Control

Developing controllers capable of completing a wide range of tasks in a natural and life-like manner is a key challenge in enabling practical applications of physics-based character animation. In this work, we introduce Generative Pretrained Controllers (GPC), which leverage tokenization and next-token modeling to create general-purpose, reusable generative controllers from large-scale motion datasets. Our framework utilizes end-to-end reinforcement learning to jointly optimize a "motion vocabulary", modeled via Finite Scalar Quantization (FSQ), along with a corresponding control policy that can map the discrete codes to physics-based controls. After the "codebook" has been learned, the underlying structure of this large vocabulary is modeled by training a GPT-style autoregressive transformer, leading to a powerful generative controller that generates controls for a physically simulated character by performing next-token prediction. Once the generative controller has been trained, we propose a suite of adaptation techniques for finetuning the controller for new downstream tasks. Our proposed framework greatly simplifies the training process compared to previous tokenized methods, and achieves a 99.98% success rate in reproducing a vast corpus of motion clips. The generative controller exhibits a variety of natural emergent behaviors, such as responsive behaviors to perturbations and recovery behaviors after falling. This results in highly robust general purpose controllers for a variety of downstream applications.

  • 4 authors
·
Jun 27

Beyond Next-Token: Next-X Prediction for Autoregressive Visual Generation

Autoregressive (AR) modeling, known for its next-token prediction paradigm, underpins state-of-the-art language and visual generative models. Traditionally, a ``token'' is treated as the smallest prediction unit, often a discrete symbol in language or a quantized patch in vision. However, the optimal token definition for 2D image structures remains an open question. Moreover, AR models suffer from exposure bias, where teacher forcing during training leads to error accumulation at inference. In this paper, we propose xAR, a generalized AR framework that extends the notion of a token to an entity X, which can represent an individual patch token, a cell (a ktimes k grouping of neighboring patches), a subsample (a non-local grouping of distant patches), a scale (coarse-to-fine resolution), or even a whole image. Additionally, we reformulate discrete token classification as continuous entity regression, leveraging flow-matching methods at each AR step. This approach conditions training on noisy entities instead of ground truth tokens, leading to Noisy Context Learning, which effectively alleviates exposure bias. As a result, xAR offers two key advantages: (1) it enables flexible prediction units that capture different contextual granularity and spatial structures, and (2) it mitigates exposure bias by avoiding reliance on teacher forcing. On ImageNet-256 generation benchmark, our base model, xAR-B (172M), outperforms DiT-XL/SiT-XL (675M) while achieving 20times faster inference. Meanwhile, xAR-H sets a new state-of-the-art with an FID of 1.24, running 2.2times faster than the previous best-performing model without relying on vision foundation modules (\eg, DINOv2) or advanced guidance interval sampling.

  • 6 authors
·
Feb 27, 2025 2

DetailFlow: 1D Coarse-to-Fine Autoregressive Image Generation via Next-Detail Prediction

This paper presents DetailFlow, a coarse-to-fine 1D autoregressive (AR) image generation method that models images through a novel next-detail prediction strategy. By learning a resolution-aware token sequence supervised with progressively degraded images, DetailFlow enables the generation process to start from the global structure and incrementally refine details. This coarse-to-fine 1D token sequence aligns well with the autoregressive inference mechanism, providing a more natural and efficient way for the AR model to generate complex visual content. Our compact 1D AR model achieves high-quality image synthesis with significantly fewer tokens than previous approaches, i.e. VAR/VQGAN. We further propose a parallel inference mechanism with self-correction that accelerates generation speed by approximately 8x while reducing accumulation sampling error inherent in teacher-forcing supervision. On the ImageNet 256x256 benchmark, our method achieves 2.96 gFID with 128 tokens, outperforming VAR (3.3 FID) and FlexVAR (3.05 FID), which both require 680 tokens in their AR models. Moreover, due to the significantly reduced token count and parallel inference mechanism, our method runs nearly 2x faster inference speed compared to VAR and FlexVAR. Extensive experimental results demonstrate DetailFlow's superior generation quality and efficiency compared to existing state-of-the-art methods.

  • 13 authors
·
May 27, 2025 2

Why do AI agents communicate in human language?

Large Language Models (LLMs) have become foundational to modern AI agent systems, enabling autonomous agents to reason and plan. In most existing systems, inter-agent communication relies primarily on natural language. While this design supports interpretability and human oversight, we argue that it introduces fundamental limitations in agent-to-agent coordination. The semantic space of natural language is structurally misaligned with the high-dimensional vector spaces in which LLMs operate, resulting in information loss and behavioral drift. Beyond surface-level inefficiencies, we highlight a deeper architectural limitation: current LLMs were not trained with the objective of supporting agentic behavior. As such, they lack mechanisms for modeling role continuity, task boundaries, and multi-agent dependencies. The standard next-token prediction paradigm fails to support the structural alignment required for robust, scalable agent coordination. Based on this, we argue that two core questions deserve careful examination: first, given that AI agents fundamentally operate in high-dimensional vector spaces, should they rely on a language system originally designed for human cognition as their communication medium? Second, should we consider developing a new model construction paradigm that builds models from the ground up to natively support structured communication, shared intentionality, and task alignment in multi-role, multi-agent environments? This paper calls for a reconsideration not only of how agents should communicate, but also of what it fundamentally means to train a model that natively supports multi-agent coordination and communication.

  • 4 authors
·
Jun 3, 2025

Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization

Recent advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Large-scale molecular instruction-tuning datasets have enabled sequence-only (e.g., SMILES or SELFIES) generalist molecular LLMs, and researchers are now exploring multimodal approaches that incorporate molecular structural information for further gains. However, a genuinely multimodal, generalist LLM that covers a broad spectrum of molecular tasks has yet to be fully investigated. We observe that naive next token prediction training ignores graph-structural information, limiting an LLM's ability to exploit molecular graphs. To address this, we propose (i) Molecular structure Preference Optimization (MolPO), which facilitates graph usage by optimizing preferences between pairs of correct and perturbed molecular structures, and (ii) an advanced graph encoder with a tailored pre-training strategy to improve the effect of graph utilization by MolPO. Building on these contributions, we introduce Mol-LLM, the first multimodal generalist model that (a) handles a broad spectrum of molecular tasks among molecular LLMs, (b) explicitly leverages molecular-structure information, and (c) takes advantage of extensive instruction tuning. Mol-LLM attains state-of-the-art or comparable results across the most comprehensive molecular-LLM benchmark-even on out-of-distribution datasets for reaction and property prediction, where it surpasses prior generalist molecular LLMs by a large margin.

  • 9 authors
·
Feb 4, 2025

Learn Your Tokens: Word-Pooled Tokenization for Language Modeling

Language models typically tokenize text into subwords, using a deterministic, hand-engineered heuristic of combining characters into longer surface-level strings such as 'ing' or whole words. Recent literature has repeatedly shown the limitations of such a tokenization strategy, particularly for documents not written in English and for representing numbers. On the other extreme, byte/character-level language models are much less restricted but suffer from increased sequence description lengths and a subsequent quadratic expansion in self-attention computation. Recent attempts to compress and limit these context lengths with fixed size convolutions is helpful but completely ignores the word boundary. This paper considers an alternative 'learn your tokens' scheme which utilizes the word boundary to pool bytes/characters into word representations, which are fed to the primary language model, before again decoding individual characters/bytes per word in parallel. We find that our moderately expressive and moderately fast end-to-end tokenizer outperform by over 300% both subwords and byte/character models over the intrinsic language modeling metric of next-word prediction across datasets. It particularly outshines on rare words, outperforming by a factor of 30! We extensively study the language modeling setup for all three categories of tokenizers and theoretically analyze how our end-to-end models can also be a strong trade-off in efficiency and robustness.

  • 4 authors
·
Oct 17, 2023

P-MTP: Efficient Document Parsing via Multi-Token Prediction with Progressive Depth Scaling

Vision-Language Models (VLMs) have revolutionized document parsing by enabling end-to-end mapping from images to structured text, imposing a significant latency bottleneck, particularly for token-dense documents. While Multi-Token Prediction (MTP) has emerged as a promising approach for accelerating inference, its potential is constrained by optimization instability when scaling to deeper look-ahead depth. In this paper, we propose P-MTP, a framework that leverages Progressive Multi-Token Prediction with a lightweight MTP module to scale the look-ahead depth for high-throughput document parsing. Specifically, we introduce Progressive Curriculum Loss that adaptively re-weights different look-ahead depths using cumulative path reliability and retrospective target consistency. By effectively suppressing gradient noise in long-range predictions, P-MTP, facilitates an automated easy-to-hard optimization transition, enabling the model to master increasingly distant look-ahead depths. Furthermore, we propose Confidence-Gated Dynamic Drafting to maximize the effective look-ahead depth and acceptance rate by adaptively calibrating speculative length during inference, thereby minimizing computational waste and further pushing the boundaries of inference speedup. Experimental results across multiple benchmarks and architectures demonstrate that P-MTP, achieves up to a 5times speedup with negligible loss in accuracy, providing the first successful validation of extensive look-ahead MTP in the document parsing domain.

  • 8 authors
·
Jun 22

NFIG: Autoregressive Image Generation with Next-Frequency Prediction

Autoregressive models have achieved promising results in natural language processing. However, for image generation tasks, they encounter substantial challenges in effectively capturing long-range dependencies, managing computational costs, and most crucially, defining meaningful autoregressive sequences that reflect natural image hierarchies. To address these issues, we present Next-Frequency Image Generation (NFIG), a novel framework that decomposes the image generation process into multiple frequency-guided stages. Our approach first generates low-frequency components to establish global structure with fewer tokens, then progressively adds higher-frequency details, following the natural spectral hierarchy of images. This principled autoregressive sequence not only improves the quality of generated images by better capturing true causal relationships between image components, but also significantly reduces computational overhead during inference. Extensive experiments demonstrate that NFIG achieves state-of-the-art performance with fewer steps, offering a more efficient solution for image generation, with 1.25times speedup compared to VAR-d20 while achieving better performance (FID: 2.81) on the ImageNet-256 benchmark. We hope that our insight of incorporating frequency-domain knowledge to guide autoregressive sequence design will shed light on future research. We will make our code publicly available upon acceptance of the paper.

  • 6 authors
·
Mar 10, 2025

Your LLM Knows the Future: Uncovering Its Multi-Token Prediction Potential

Autoregressive language models are constrained by their inherently sequential nature, generating one token at a time. This paradigm limits inference speed and parallelism, especially during later stages of generation when the direction and semantics of text are relatively certain. In this work, we propose a novel framework that leverages the inherent knowledge of vanilla autoregressive language models about future tokens, combining techniques to realize this potential and enable simultaneous prediction of multiple subsequent tokens. Our approach introduces several key innovations: (1) a masked-input formulation where multiple future tokens are jointly predicted from a common prefix; (2) a gated LoRA formulation that preserves the original LLM's functionality, while equipping it for multi-token prediction; (3) a lightweight, learnable sampler module that generates coherent sequences from the predicted future tokens; (4) a set of auxiliary training losses, including a consistency loss, to enhance the coherence and accuracy of jointly generated tokens; and (5) a speculative generation strategy that expands tokens quadratically in the future while maintaining high fidelity. Our method achieves significant speedups through supervised fine-tuning on pretrained models. For example, it generates code and math nearly 5x faster, and improves general chat and knowledge tasks by almost 2.5x. These gains come without any loss in quality.

  • 7 authors
·
Jul 15, 2025

Next-Latent Prediction Transformers Learn Compact World Models

Transformers replace recurrence with a memory that grows with sequence length and self-attention that enables ad-hoc look ups over past tokens. Consequently, they lack an inherent incentive to compress history into compact latent states with consistent transition rules. This often leads to learning solutions that generalize poorly. We introduce Next-Latent Prediction (NextLat), which extends standard next-token training with self-supervised predictions in the latent space. Specifically, NextLat trains a transformer to learn latent representations that are predictive of its next latent state given the next output token. Theoretically, we show that these latents provably converge to belief states, compressed information of the history necessary to predict the future. This simple auxiliary objective also injects a recurrent inductive bias into transformers, while leaving their architecture, parallel training, and inference unchanged. NextLat effectively encourages the transformer to form compact internal world models with its own belief states and transition dynamics -- a crucial property absent in standard next-token prediction transformers. Empirically, across benchmarks targeting core sequence modeling competencies -- world modeling, reasoning, planning, and language modeling -- NextLat demonstrates significant gains over standard next-token training in downstream accuracy, representation compression, and lookahead planning. NextLat stands as a simple and efficient paradigm for shaping transformer representations toward stronger generalization.

MicrosoftResearch Microsoft Research
·
Nov 8, 2025 1

Text2Token: Unsupervised Text Representation Learning with Token Target Prediction

Unsupervised text representation learning (TRL) is a fundamental task in natural language processing, which is beneficial for improving search and recommendations with the web's unlabeled texts. A recent empirical study finds that the high-quality representation aligns with the key token of the input text, uncovering the potential connection between representation space and vocabulary space. Inspired by the findings, we revisit the generative tasks and develop an unsupervised generative framework for TRL, Text2Token. The framework is based on the token target prediction task, utilizing carefully constructed target token distribution as supervisory signals. To construct the high-quality target token distribution, we analyze the token-alignment properties with advanced embedders and identify two essential categories of key tokens: (1) the meaningful tokens in the text and (2) semantically derived tokens beyond the text. Based on these insights, we propose two methods -- data-driven and model-derived -- to construct synthetic token targets from data or the LLM backbone. Experiments on the MTEB v2 benchmark demonstrate that Text2Token achieves performance competitive with the state-of-the-art embedder with unsupervised contrastive learning, LLM2Vec. Our analysis further shows that vocabulary and representation spaces optimize together and toward the optimum solution during training, providing new ideas and insights for future work.

  • 6 authors
·
Oct 11, 2025

Retrofitting (Large) Language Models with Dynamic Tokenization

Current language models (LMs) use a fixed, static subword tokenizer. This choice, often taken for granted, typically results in degraded efficiency and capabilities in languages other than English, and makes it challenging to apply LMs to new domains or languages. To address these issues, we propose retrofitting LMs with dynamic tokenization: a way to dynamically decide on token boundaries based on the input text. For encoder-style models, we introduce a subword-merging algorithm inspired by byte-pair encoding (BPE), but at a batch level. We merge frequent subword sequences in a batch, then apply a pretrained embedding-prediction hypernetwork to compute the token embeddings on-the-fly. When applied with word-level boundaries, this on average reduces token sequence lengths by >20% across 14 languages on XNLI with XLM-R while degrading its task performance by less than 2%. For decoder-style models, we apply dynamic tokenization in two ways: 1) for prefilling, maintaining performance of Mistral-7B almost completely with up to 40% sequence reduction - relative to the word-level; and 2) via an approximate nearest neighbor index, achieving fast generation with a one million token vocabulary, demonstrating scalability to even larger, dynamic vocabularies. Overall, our findings show that dynamic tokenization substantially improves inference speed and promotes fairness across languages, making a leap towards overcoming the limitations of static tokenization and enabling more equitable and adaptable LMs.

  • 3 authors
·
Nov 27, 2024

Turning Trash into Treasure: Accelerating Inference of Large Language Models with Token Recycling

The rapid growth in the parameters of large language models (LLMs) has made inference latency a fundamental bottleneck, limiting broader application of LLMs. Speculative decoding represents a lossless approach to accelerate inference through a guess-and-verify paradigm, leveraging the parallel capabilities of modern hardware. Some speculative decoding methods rely on additional structures to guess draft tokens, such as small models or parameter-efficient architectures, which need extra training before use. Alternatively, retrieval-based train-free techniques build libraries from pre-existing corpora or by n-gram generation. However, they face challenges like large storage requirements, time-consuming retrieval, and limited adaptability. Observing that candidate tokens generated during the decoding process are likely to reoccur in future sequences, we propose Token Recycling. This approach stores candidate tokens in an adjacency matrix and employs a breadth-first search (BFS)-like algorithm on the matrix to construct a draft tree. The tree is then validated through tree attention. New candidate tokens from the decoding process are then used to update the matrix. Token Recycling requires \textless2MB of additional storage and achieves approximately 2x speedup across all sizes of LLMs. It significantly outperforms existing train-free methods by 30\% and even a training method by 25\%. It can be directly applied to any existing LLMs and tasks without the need for adaptation.

  • 8 authors
·
Aug 16, 2024 2

Improving large language models with concept-aware fine-tuning

Large language models (LLMs) have become the cornerstone of modern AI. However, the existing paradigm of next-token prediction fundamentally limits their ability to form coherent, high-level concepts, making it a critical barrier to human-like understanding and reasoning. Take the phrase "ribonucleic acid" as an example: an LLM will first decompose it into tokens, i.e., artificial text fragments ("rib", "on", ...), then learn each token sequentially, rather than grasping the phrase as a unified, coherent semantic entity. This fragmented representation hinders deeper conceptual understanding and, ultimately, the development of truly intelligent systems. In response, we introduce Concept-Aware Fine-Tuning (CAFT), a novel multi-token training method that redefines how LLMs are fine-tuned. By enabling the learning of sequences that span multiple tokens, this method fosters stronger concept-aware learning. Our experiments demonstrate significant improvements compared to conventional next-token finetuning methods across diverse tasks, including traditional applications like text summarization and domain-specific ones like de novo protein design. Multi-token prediction was previously only possible in the prohibitively expensive pretraining phase; CAFT, to our knowledge, is the first to bring the multi-token setting to the post-training phase, thus effectively democratizing its benefits for the broader community of practitioners and researchers. Finally, the unexpected effectiveness of our proposed method suggests wider implications for the machine learning research community. All code and data are available at https://github.com/michaelchen-lab/caft-llm

  • 4 authors
·
Jun 9, 2025 2

Word-Level Representation From Bytes For Language Modeling

Modern language models mostly take sub-words as input, a design that balances the trade-off between vocabulary size, number of parameters, and performance. However, sub-word tokenization still has disadvantages like not being robust to noise and difficult to generalize to new languages. Also, the current trend of scaling up models reveals that larger models require larger embeddings but that makes parallelization hard. Previous work on image classification proves splitting raw input into a sequence of chucks is a strong, model-agnostic inductive bias. Based on this observation, we rethink the existing character-aware method that takes character-level inputs but makes word-level sequence modeling and prediction. We overhaul this method by introducing a cross-attention network that builds word-level representation directly from bytes, and a sub-word level prediction based on word-level hidden states to avoid the time and space requirement of word-level prediction. With these two improvements combined, we have a token free model with slim input embeddings for downstream tasks. We name our method Byte2Word and perform evaluations on language modeling and text classification. Experiments show that Byte2Word is on par with the strong sub-word baseline BERT but only takes up 10\% of embedding size. We further test our method on synthetic noise and cross-lingual transfer and find it competitive to baseline methods on both settings.

  • 3 authors
·
Nov 22, 2022 2

Goose: Anisotropic Speculation Trees for Training-Free Speculative Decoding

Speculative decoding accelerates large language model inference by drafting multiple candidate tokens and verifying them in a single forward pass. Candidates are organized as a tree: deeper trees accept more tokens per step, but adding depth requires sacrificing breadth (fallback options) under a fixed verification budget. Existing training-free methods draft from a single token source and shape their trees without distinguishing candidate quality across origins. We observe that two common training-free token sources - n-gram matches copied from the input context, and statistical predictions from prior forward passes - differ dramatically in acceptance rate (~6x median gap, range 2-18x across five models and five benchmarks). We prove that when such a quality gap exists, the optimal tree is anisotropic (asymmetric): reliable tokens should form a deep chain while unreliable tokens spread as wide branches, breaking through the depth limit of balanced trees. We realize this structure in GOOSE, a training-free framework that builds an adaptive spine tree - a deep chain of high-acceptance context-matched tokens with wide branches of low-acceptance alternatives at each node. We prove that the number of tokens accepted per step is at least as large as that of either source used alone. On five LLMs (7B-33B) and five benchmarks, GOOSE achieves 1.9-4.3x lossless speedup, outperforming balanced-tree baselines by 12-33% under the same budget.

  • 3 authors
·
Apr 1

DREAM: Dense Retrieval Embeddings via Autoregressive Modeling

Dense retrieval embedding models are a fundamental component of modern retrieval-based AI systems. Most dense retrievers are trained with contrastive objectives, which require labeled positive and negative document pairs that are often costly and difficult to obtain. In this work, we investigate whether the autoregressive next-token prediction objective of a large language model (LLM) can provide supervision for dense retrieval. The intuition is simple: if a document contains information relevant to a query, conditioning on that document should make the target output easier for the LLM to predict. A key challenge is that the next-token prediction loss is computed inside the LLM, while the retriever is a separate embedding model. To address this challenge, we propose DREAM (Dense Retrieval Embeddings via Autoregressive Modeling), which injects retriever-generated query-document similarity scores into selected attention heads of a frozen LLM. During training, these scores determine how much attention each candidate document receives while the LLM predicts the target output. The resulting prediction loss provides gradients for retriever training through the attention mechanism. We evaluate DREAM on retrieval benchmarks BEIR and RTEB using embedding backbones ranging from 0.5B to 3B parameters. DREAM consistently outperforms existing baselines across different model scales. These results demonstrate that DREAM provides a promising approach for training dense retrievers through autoregressive modeling.

  • 2 authors
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Jun 22 2

Bottleneck Tokens for Unified Multimodal Retrieval

Adapting decoder-only multimodal large language models (MLLMs) for unified multimodal retrieval faces two structural gaps. First, existing methods rely on implicit pooling, which overloads the hidden state of a standard vocabulary token (e.g., <EOS>) as the sequence-level representation, a mechanism never designed for information aggregation. Second, contrastive fine-tuning specifies what the embedding should match but provides no token-level guidance on how information should be compressed into it. We address both gaps with two complementary components. Architecturally, we introduce Bottleneck Tokens (BToks), a small set of learnable tokens that serve as a fixed-capacity explicit pooling mechanism. For training, we propose Generative Information Condensation: a next-token prediction objective coupled with a Condensation Mask that severs the direct attention path from target tokens to query tokens. All predictive signals are thereby forced through the BToks, converting the generative loss into dense, token-level supervision for semantic compression. At inference time, only the input and BToks are processed in a single forward pass with negligible overhead over conventional last-token pooling. On MMEB-V2 (78 datasets, 3 modalities, 9 meta-tasks), our approach achieves state-of-the-art among 2B-scale methods under comparable data conditions, attaining an Overall score of 59.0 (+3.6 over VLM2Vec-V2) with substantial gains on semantically demanding tasks (e.g., +12.6 on Video-QA).

  • 11 authors
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Apr 12

RoPE Distinguishes Neither Positions Nor Tokens in Long Contexts, Provably

We identify intrinsic limitations of Rotary Positional Embeddings (RoPE) in Transformer-based long-context language models. Our theoretical analysis abstracts away from the specific content of the context and depends only on its length. We prove that as context length increases, RoPE-based attention becomes unpredictable and loses two properties that are central to its effectiveness. First, it loses its locality bias: RoPE is no more likely to favor nearer positions than substantially farther ones. Second, it loses consistency in token relevance: a key vector that receives a higher attention score than an alternative at one position may receive a lower score at another. In both cases, the probability of failure approaches 0.5, no better than random guessing. We further prove that the attention score can remain unchanged when a key token is moved to a different position, or even replaced by a different token, indicating a failure to distinguish positions or tokens. Adjusting the RoPE base trades off distinguishing positions against distinguishing tokens but cannot preserve both at the same time. Increasing the RoPE base hyperparameter, a common practice in today's long-context models, helps distinguish different tokens, but inevitably sacrifices the ability to distinguish positions. Our empirical analysis shows that multi-head, multi-layer architectures are insufficient to overcome these limitations. Our findings suggest that fundamentally new mechanisms for encoding position and token order may be needed in future Transformer long-context language models.

Chimera: A Lossless Decoding Method for Accelerating Large Language Models Inference by Fusing all Tokens

Large language models (LLMs) have demonstrated remarkable capabilities across various tasks. However, their widespread application is hindered by the resource-intensive decoding process. To address this challenge, current approaches have incorporated additional decoding heads to enable parallel prediction of multiple subsequent tokens, thereby achieving inference acceleration. Nevertheless, the accuracy of these decoding heads falls short of the auto-regressive decoding approach. In light of these limitations, we propose Chimera, a novel framework specifically designed for speculative sampling. Within this framework, we introduce a lightweight draft model that effectively utilizes previously generated tokens to predict subsequent words. To ensure both accuracy and efficiency, we present two strategies within the lightweight draft model. Firstly, we focus on capturing short-range dependencies at the bottom layer. Secondly, we leverage the readily available representations from the original LLM.Through empirical evaluation on the Vicuna and LlaMA-2 series, Chimera demonstrates impressive results, achieving an average latency speedup ratio of 2.7x compared to the vanilla auto-regressive decoding approach. This highlights the potential of our proposed framework in significantly improving the efficiency of large language models during the decoding process.

  • 7 authors
·
Feb 24, 2024

ERNIE-Gram: Pre-Training with Explicitly N-Gram Masked Language Modeling for Natural Language Understanding

Coarse-grained linguistic information, such as named entities or phrases, facilitates adequately representation learning in pre-training. Previous works mainly focus on extending the objective of BERT's Masked Language Modeling (MLM) from masking individual tokens to contiguous sequences of n tokens. We argue that such contiguously masking method neglects to model the intra-dependencies and inter-relation of coarse-grained linguistic information. As an alternative, we propose ERNIE-Gram, an explicitly n-gram masking method to enhance the integration of coarse-grained information into pre-training. In ERNIE-Gram, n-grams are masked and predicted directly using explicit n-gram identities rather than contiguous sequences of n tokens. Furthermore, ERNIE-Gram employs a generator model to sample plausible n-gram identities as optional n-gram masks and predict them in both coarse-grained and fine-grained manners to enable comprehensive n-gram prediction and relation modeling. We pre-train ERNIE-Gram on English and Chinese text corpora and fine-tune on 19 downstream tasks. Experimental results show that ERNIE-Gram outperforms previous pre-training models like XLNet and RoBERTa by a large margin, and achieves comparable results with state-of-the-art methods. The source codes and pre-trained models have been released at https://github.com/PaddlePaddle/ERNIE.

  • 7 authors
·
Oct 22, 2020

Future Token Prediction -- Causal Language Modelling with Per-Token Semantic State Vector for Multi-Token Prediction

Causal decoder-only transformer models used for generative language modelling, such as Generative Pre-trained Transformers (GPT), are trained to predict the next token in a sequence based only on its previous tokens. Despite this simple training objective, they have proved to be powerful AI tools. However, only predicting the next token results in top layer embedding vectors that are highly token-focused. There may be benefits in generating embedding vectors at each token position that better capture the overall meaning of longer sequences of future text. Recent studies matching brain scans with deep language models suggest that humans also predict upcoming words when listening or reading but consider multiple future tokens rather than just one. This research investigates a new pretraining method called Future Token Prediction (FTP). In FTP, a large transformer encoder generates top layer embedding vectors for each token position, which, instead of being passed to a language head, are linearly and expansively projected to a pseudo-sequence, which is cross attended to by a small transformer decoder to predict the next N tokens forward from that position in the sequence. The top layer embedding vectors from FTP models exhibit distinct properties compared to those from standard GPT models, varying smoothly along a text sequence as measured by cosine similarity between adjacent tokens. Text generated by FTP models show improved topic coherence compared to standard GPT-like models trained with the same prediction perplexity for the next single token. The vectors are shown to better represent the topic of text based on the results of text classification examples. On a toy, but complex, coding problem, FTP networks produce significantly better results than GPT networks.

  • 1 authors
·
Oct 23, 2024

An Information-Theoretic Perspective on LLM Tokenizers

Large language model (LLM) tokenizers act as structured compressors: by mapping text to discrete token sequences, they determine token count (and thus compute and context usage) and the statistical structure seen by downstream models. Despite their central role in LLM pipelines, the link between tokenization, compression efficiency and induced structure is not well understood. We empirically demonstrate that tokenizer training scale redistributes entropy: as training data grows, the token stream becomes more diverse in aggregate (higher unigram entropy) yet markedly more predictable in-context (lower higher-order conditional entropies), indicating that tokenization absorbs substantial short-range regularity although these gains degrade under train-test domain mismatch. To ground these observations, we first benchmark i) pretrained GPT-family tokenizers as black-box compressors across various domains, and ii) learned tokenizers across configurations spanning vocabulary size, training scale, and domain. Next, we study tokenization as a transform for universal compression and introduce a compression-aware BPE variant. Finally, we adopt a channel lens and introduce capacity-utilization metrics to analyze tokenizer behaviour and outline implications for downstream modeling. Put together, our results expose various trade-offs between compression, induced structure, and robustness under domain shift, and motivate principled, compression-aware tokenizer design.

  • 5 authors
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Jan 13

Token Prepending: A Training-Free Approach for Eliciting Better Sentence Embeddings from LLMs

Extracting sentence embeddings from large language models (LLMs) is a promising direction, as LLMs have demonstrated stronger semantic understanding capabilities. Previous studies typically focus on prompt engineering to elicit sentence embeddings from LLMs by prompting the model to encode sentence information into the embedding of the last token. However, LLMs are mostly decoder-only models with causal attention and the earlier tokens in the sentence cannot attend to the latter tokens, resulting in biased encoding of sentence information and cascading effects on the final decoded token. To this end, we propose a novel Token Prepending (TP) technique that prepends each layer's decoded sentence embedding to the beginning of the sentence in the next layer's input, allowing earlier tokens to attend to the complete sentence information under the causal attention mechanism. The proposed TP technique is a plug-and-play and training-free technique, which means it can be seamlessly integrated with various prompt-based sentence embedding methods and autoregressive LLMs. Extensive experiments on various Semantic Textual Similarity (STS) tasks and downstream classification tasks demonstrate that our proposed TP technique can significantly improve the performance of existing prompt-based sentence embedding methods across different LLMs, while incurring negligible additional inference cost.

  • 7 authors
·
Dec 16, 2024

Correlation and Navigation in the Vocabulary Key Representation Space of Language Models

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

  • 3 authors
·
Oct 3, 2024