new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Oct 27

HoPE: A Novel Positional Encoding Without Long-Term Decay for Enhanced Context Awareness and Extrapolation

Many positional encodings (PEs) are designed to exhibit long-term decay, based on an entrenched and long-standing inductive opinion: tokens farther away from the current position carry less relevant information. We argue that long-term decay is outdated in the era of LLMs, as LLMs are now applied to tasks demanding precise retrieval of in-context information from arbitrary positions. Firstly, we present empirical analyses on various PEs, demonstrating that models inherently learn attention with only a local-decay pattern while forming a U-shape pattern globally, contradicting the principle of long-term decay. Furthermore, we conduct a detailed analysis of rotary position encoding (RoPE, a prevalent relative positional encoding in LLMs), and found that the U-shape attention is caused by some learned components, which are also the key factor limiting RoPE's expressiveness and extrapolation.Inspired by these insights, we propose High-frequency rotary Position Encoding (HoPE). HoPE replaces the specific components in RoPE with position-independent ones, retaining only high-frequency signals, which also breaks the principle of long-term decay in theory. HoPE achieves two major advantages: (1) Without constraints imposed by long-term decay, contradictory factors that limit spontaneous attention optimization and model extrapolation performance are removed. (2) Components representing positions and semantics are are optimized. These enhances model's context awareness and extrapolation, as validated by extensive experiments.

  • 5 authors
·
Dec 4, 2024

Can AI Dream of Unseen Galaxies? Conditional Diffusion Model for Galaxy Morphology Augmentation

Observational astronomy relies on visual feature identification to detect critical astrophysical phenomena. While machine learning (ML) increasingly automates this process, models often struggle with generalization in large-scale surveys due to the limited representativeness of labeled datasets -- whether from simulations or human annotation -- a challenge pronounced for rare yet scientifically valuable objects. To address this, we propose a conditional diffusion model to synthesize realistic galaxy images for augmenting ML training data. Leveraging the Galaxy Zoo 2 dataset which contains visual feature -- galaxy image pairs from volunteer annotation, we demonstrate that our model generates diverse, high-fidelity galaxy images closely adhere to the specified morphological feature conditions. Moreover, this model enables generative extrapolation to project well-annotated data into unseen domains and advancing rare object detection. Integrating synthesized images into ML pipelines improves performance in standard morphology classification, boosting completeness and purity by up to 30\% across key metrics. For rare object detection, using early-type galaxies with prominent dust lane features ( sim0.1\% in GZ2 dataset) as a test case, our approach doubled the number of detected instances from 352 to 872, compared to previous studies based on visual inspection. This study highlights the power of generative models to bridge gaps between scarce labeled data and the vast, uncharted parameter space of observational astronomy and sheds insight for future astrophysical foundation model developments. Our project homepage is available at https://galaxysd-webpage.streamlit.app/.

  • 7 authors
·
Jun 19, 2025

Async Control: Stress-testing Asynchronous Control Measures for LLM Agents

LLM-based software engineering agents are increasingly used in real-world development tasks, often with access to sensitive data or security-critical codebases. Such agents could intentionally sabotage these codebases if they were misaligned. We investigate asynchronous monitoring, in which a monitoring system reviews agent actions after the fact. Unlike synchronous monitoring, this approach does not impose runtime latency, while still attempting to disrupt attacks before irreversible harm occurs. We treat monitor development as an adversarial game between a blue team (who design monitors) and a red team (who create sabotaging agents). We attempt to set the game rules such that they upper bound the sabotage potential of an agent based on Claude 4.1 Opus. To ground this game in a realistic, high-stakes deployment scenario, we develop a suite of 5 diverse software engineering environments that simulate tasks that an agent might perform within an AI developer's internal infrastructure. Over the course of the game, we develop an ensemble monitor that achieves a 6% false negative rate at 1% false positive rate on a held out test environment. Then, we estimate risk of sabotage at deployment time by extrapolating from our monitor's false negative rate. We describe one simple model for this extrapolation, present a sensitivity analysis, and describe situations in which the model would be invalid. Code is available at: https://github.com/UKGovernmentBEIS/async-control.

  • 9 authors
·
Dec 15, 2025

Low-rank Optimization Trajectories Modeling for LLM RLVR Acceleration

Recently, scaling reinforcement learning with verifiable rewards (RLVR) for large language models (LLMs) has emerged as an effective training paradigm for significantly improving model capabilities, which requires guiding the model to perform extensive exploration and learning, leading to substantial computational overhead and becoming a key challenge. To reduce the number of training steps, Prior work performs linear extrapolation of model parameters. However, the dynamics of model parameter updates during RLVR training remain insufficiently understood. To further investigate the evolution of LLMs during RLVR training, we conduct empirical experiments and find that the rank-1 subspace of the model does not evolve linearly, and its dominance over the original parameters is further amplified during LoRA training. Based on the above insights, we propose the Nonlinear Extrapolation of low-rank trajectories (NExt), a novel framework that models and extrapolates low-rank parameter trajectories in a nonlinear manner. Concretely, we first train the model using LoRA and extract the rank-1 subspace of parameter differences at multiple training steps, which is then used for the subsequent nonlinear extrapolation. Afterward, we utilized the extracted rank-1 subspace to train a predictor, which can model the trajectory of parameter updates during RLVR, and then perform the predict-extend process to extrapolate model parameters, achieving the acceleration of RLVR. To further study and understand NExt, we conduct comprehensive experiments that demonstrate the effectiveness and robustness of the method. Our method reduces computational overhead by approximately 37.5\% while remaining compatible with a wide range of RLVR algorithms and tasks. We release our code in https://github.com/RUCAIBox/NExt.

RUC-AIBOX RUC-AIBOX
·
Apr 12 2

Multi-fidelity climate model parameterization for better generalization and extrapolation

Machine-learning-based parameterizations (i.e. representation of sub-grid processes) of global climate models or turbulent simulations have recently been proposed as a powerful alternative to physical, but empirical, representations, offering a lower computational cost and higher accuracy. Yet, those approaches still suffer from a lack of generalization and extrapolation beyond the training data, which is however critical to projecting climate change or unobserved regimes of turbulence. Here we show that a multi-fidelity approach, which integrates datasets of different accuracy and abundance, can provide the best of both worlds: the capacity to extrapolate leveraging the physically-based parameterization and a higher accuracy using the machine-learning-based parameterizations. In an application to climate modeling, the multi-fidelity framework yields more accurate climate projections without requiring major increase in computational resources. Our multi-fidelity randomized prior networks (MF-RPNs) combine physical parameterization data as low-fidelity and storm-resolving historical run's data as high-fidelity. To extrapolate beyond the training data, the MF-RPNs are tested on high-fidelity warming scenarios, +4K, data. We show the MF-RPN's capacity to return much more skillful predictions compared to either low- or high-fidelity (historical data) simulations trained only on one regime while providing trustworthy uncertainty quantification across a wide range of scenarios. Our approach paves the way for the use of machine-learning based methods that can optimally leverage historical observations or high-fidelity simulations and extrapolate to unseen regimes such as climate change.

  • 4 authors
·
Sep 18, 2023

Retrofitting Recurrent Depth into a Pretrained Language Model: Installation, Extrapolation, Transfer, and Retention at Two Parameter Budgets

A dense, pretrained language model can be retrofitted with recurrent depth and learn an iterative latent transition that persists after outcome-only annealing. Qwen2.5-0.5B-Instruct is split into a Prelude, a weight-tied Recurrent Block, and a Coda, with an identity-preserving one-loop path and a re-entry bridge on later loops. At loop 1 the retrofit remains non-inferior to its base on a preregistered ARC battery. Three findings. First, the mechanism is a reusable procedure rather than terminal-answer lookup, and installs at two budgets: 6M trained parameters over frozen base weights and 180M full-block. With intermediate-step supervision, the model computes one task step per loop and persists when only final answers are graded. The adapter matched the full block overall (83.8% versus 84.0%), led through depth 11, and trailed beyond. Verbal fine-tuning reached 79-86% on controlled verbal renderings (zero-shot transfer was minimal), and adapter verbal training begun from the installed mechanism outpaced matched fresh training by 18.6 points, including on a held-out test set. Second, the operation extrapolates to roughly 1.5 times its supervised depth, holding 70% accuracy through depth 18. Third, a same-size scratchpad-trained model matched the recurrent model within its learned horizon but collapsed beyond it. The recurrent model won overall, 84% versus 72%, retained 53% versus 2.5% beyond depth 10, and answered 7.6 times faster. An iterative transformer can therefore perform deeper reasoning in latent space faster than comparable or larger models fine-tuned on the same task, in a system-level comparison. A second task, running the rule in reverse, exposed the limits: the inverse was learnable in isolation, but no continuation acquired it while preserving the installed mechanism and general capability, a catastrophic-interference boundary. Learned depth selection remains open.

  • 1 authors
·
Jul 30

Neon: Negative Extrapolation From Self-Training Improves Image Generation

Scaling generative AI models is bottlenecked by the scarcity of high-quality training data. The ease of synthesizing from a generative model suggests using (unverified) synthetic data to augment a limited corpus of real data for the purpose of fine-tuning in the hope of improving performance. Unfortunately, however, the resulting positive feedback loop leads to model autophagy disorder (MAD, aka model collapse) that results in a rapid degradation in sample quality and/or diversity. In this paper, we introduce Neon (for Negative Extrapolation frOm self-traiNing), a new learning method that turns the degradation from self-training into a powerful signal for self-improvement. Given a base model, Neon first fine-tunes it on its own self-synthesized data but then, counterintuitively, reverses its gradient updates to extrapolate away from the degraded weights. We prove that Neon works because typical inference samplers that favor high-probability regions create a predictable anti-alignment between the synthetic and real data population gradients, which negative extrapolation corrects to better align the model with the true data distribution. Neon is remarkably easy to implement via a simple post-hoc merge that requires no new real data, works effectively with as few as 1k synthetic samples, and typically uses less than 1% additional training compute. We demonstrate Neon's universality across a range of architectures (diffusion, flow matching, autoregressive, and inductive moment matching models) and datasets (ImageNet, CIFAR-10, and FFHQ). In particular, on ImageNet 256x256, Neon elevates the xAR-L model to a new state-of-the-art FID of 1.02 with only 0.36% additional training compute. Code is available at https://github.com/SinaAlemohammad/Neon

  • 3 authors
·
Oct 3, 2025

Evaluating Interpolation and Extrapolation Performance of Neural Retrieval Models

A retrieval model should not only interpolate the training data but also extrapolate well to the queries that are different from the training data. While neural retrieval models have demonstrated impressive performance on ad-hoc search benchmarks, we still know little about how they perform in terms of interpolation and extrapolation. In this paper, we demonstrate the importance of separately evaluating the two capabilities of neural retrieval models. Firstly, we examine existing ad-hoc search benchmarks from the two perspectives. We investigate the distribution of training and test data and find a considerable overlap in query entities, query intent, and relevance labels. This finding implies that the evaluation on these test sets is biased toward interpolation and cannot accurately reflect the extrapolation capacity. Secondly, we propose a novel evaluation protocol to separately evaluate the interpolation and extrapolation performance on existing benchmark datasets. It resamples the training and test data based on query similarity and utilizes the resampled dataset for training and evaluation. Finally, we leverage the proposed evaluation protocol to comprehensively revisit a number of widely-adopted neural retrieval models. Results show models perform differently when moving from interpolation to extrapolation. For example, representation-based retrieval models perform almost as well as interaction-based retrieval models in terms of interpolation but not extrapolation. Therefore, it is necessary to separately evaluate both interpolation and extrapolation performance and the proposed resampling method serves as a simple yet effective evaluation tool for future IR studies.

  • 7 authors
·
Apr 25, 2022

Efficient Bayesian Learning Curve Extrapolation using Prior-Data Fitted Networks

Learning curve extrapolation aims to predict model performance in later epochs of training, based on the performance in earlier epochs. In this work, we argue that, while the inherent uncertainty in the extrapolation of learning curves warrants a Bayesian approach, existing methods are (i) overly restrictive, and/or (ii) computationally expensive. We describe the first application of prior-data fitted neural networks (PFNs) in this context. A PFN is a transformer, pre-trained on data generated from a prior, to perform approximate Bayesian inference in a single forward pass. We propose LC-PFN, a PFN trained to extrapolate 10 million artificial right-censored learning curves generated from a parametric prior proposed in prior art using MCMC. We demonstrate that LC-PFN can approximate the posterior predictive distribution more accurately than MCMC, while being over 10 000 times faster. We also show that the same LC-PFN achieves competitive performance extrapolating a total of 20 000 real learning curves from four learning curve benchmarks (LCBench, NAS-Bench-201, Taskset, and PD1) that stem from training a wide range of model architectures (MLPs, CNNs, RNNs, and Transformers) on 53 different datasets with varying input modalities (tabular, image, text, and protein data). Finally, we investigate its potential in the context of model selection and find that a simple LC-PFN based predictive early stopping criterion obtains 2 - 6x speed-ups on 45 of these datasets, at virtually no overhead.

  • 4 authors
·
Oct 31, 2023

UltraViCo: Breaking Extrapolation Limits in Video Diffusion Transformers

Despite advances, video diffusion transformers still struggle to generalize beyond their training length, a challenge we term video length extrapolation. We identify two failure modes: model-specific periodic content repetition and a universal quality degradation. Prior works attempt to solve repetition via positional encodings, overlooking quality degradation and achieving only limited extrapolation. In this paper, we revisit this challenge from a more fundamental view: attention maps, which directly govern how context influences outputs. We identify that both failure modes arise from a unified cause: attention dispersion, where tokens beyond the training window dilute learned attention patterns. This leads to quality degradation and repetition emerges as a special case when this dispersion becomes structured into periodic attention patterns, induced by harmonic properties of positional encodings. Building on this insight, we propose UltraViCo, a training-free, plug-and-play method that suppresses attention for tokens beyond the training window via a constant decay factor. By jointly addressing both failure modes, we outperform a broad set of baselines largely across models and extrapolation ratios, pushing the extrapolation limit from 2x to 4x. Remarkably, it improves Dynamic Degree and Imaging Quality by 233% and 40.5% over the previous best method at 4x extrapolation. Furthermore, our method generalizes seamlessly to downstream tasks such as controllable video synthesis and editing.

MERCE: Method-Space Correlation Energy Extrapolation toward High-Rank Coupled Cluster Accuracy

Energy extrapolation is a well-established strategy for approaching quantum-chemical limits without performing prohibitively expensive calculations. Complete basis set extrapolation is widely used, whereas extrapolation across electronic structure methods remains much less developed. Method-Space Effective-Rank Correlation Energy Extrapolation (MERCE) is introduced as an adaptive effective-rank framework for estimating high-rank finite-basis correlation energies from second-order Moller-Plesset perturbation theory (MP2), coupled cluster with single and double excitations (CCSD), and CCSD with perturbative triples [CCSD(T)]. The method assigns adaptive effective ranks to MP2 and CCSD(T) from the local MP2-CCSD-CCSD(T) correlation energy pattern and fits a compact three-point extrapolation form for each system. A hierarchical model-selection protocol balances cross-dataset transferability, maximum dataset-level mean absolute error (MAE) ratios, robustness on developmental sets referenced to full configuration interaction (FCI), size-consistency defects, and performance for A24 noncovalent interaction energies. Across the chemically diverse benchmarks used during model development, the selected MERCE model substantially reduces CCSD(T) errors and frequently improves upon the tested higher-rank coupled cluster baselines. Transferability is further assessed using calculations performed only after the functional form and parameters were frozen. Formal nonadditivity is quantified using artificial noninteracting pairs and the actual A24 and selected S66 component calculations.

  • 4 authors
·
Oct 7

CLEX: Continuous Length Extrapolation for Large Language Models

Transformer-based Large Language Models (LLMs) are pioneering advances in many natural language processing tasks, however, their exceptional capabilities are restricted within the preset context window of Transformer. Position Embedding (PE) scaling methods, while effective in extending the context window to a specific length, demonstrate either notable limitations in their extrapolation abilities or sacrificing partial performance within the context window. Length extrapolation methods, although theoretically capable of extending the context window beyond the training sequence length, often underperform in practical long-context applications. To address these challenges, we propose Continuous Length EXtrapolation (CLEX) for LLMs. We generalise the PE scaling approaches to model the continuous dynamics by ordinary differential equations over the length scaling factor, thereby overcoming the constraints of current PE scaling methods designed for specific lengths. Moreover, by extending the dynamics to desired context lengths beyond the training sequence length, CLEX facilitates the length extrapolation with impressive performance in practical tasks. We demonstrate that CLEX can be seamlessly incorporated into LLMs equipped with Rotary Position Embedding, such as LLaMA and GPT-NeoX, with negligible impact on training and inference latency. Experimental results reveal that CLEX can effectively extend the context window to over 4x or almost 8x training length, with no deterioration in performance. Furthermore, when evaluated on the practical LongBench benchmark, our model trained on a 4k length exhibits competitive performance against state-of-the-art open-source models trained on context lengths up to 32k.

  • 5 authors
·
Oct 25, 2023 1

TokenSelect: Efficient Long-Context Inference and Length Extrapolation for LLMs via Dynamic Token-Level KV Cache Selection

With the development of large language models (LLMs), the ability to handle longer contexts has become a key capability for Web applications such as cross-document understanding and LLM-powered search systems. However, this progress faces two major challenges: performance degradation due to sequence lengths out-of-distribution, and excessively long inference times caused by the quadratic computational complexity of attention. These issues hinder the application of LLMs in long-context scenarios. In this paper, we propose Dynamic Token-Level KV Cache Selection (TokenSelect), a model-agnostic, training-free method for efficient and accurate long-context inference. TokenSelect builds upon the observation of non-contiguous attention sparsity, using Query-Key dot products to measure per-head KV Cache criticality at token-level. By per-head soft voting mechanism, TokenSelect selectively involves a small number of critical KV cache tokens in the attention calculation without sacrificing accuracy. To further accelerate TokenSelect, we designed the Selection Cache based on observations of consecutive Query similarity and implemented efficient dot product kernel, significantly reducing the overhead of token selection. A comprehensive evaluation of TokenSelect demonstrates up to 23.84x speedup in attention computation and up to 2.28x acceleration in end-to-end latency, while providing superior performance compared to state-of-the-art long-context inference methods.

  • 8 authors
·
Nov 5, 2024

FiTv2: Scalable and Improved Flexible Vision Transformer for Diffusion Model

Nature is infinitely resolution-free. In the context of this reality, existing diffusion models, such as Diffusion Transformers, often face challenges when processing image resolutions outside of their trained domain. To address this limitation, we conceptualize images as sequences of tokens with dynamic sizes, rather than traditional methods that perceive images as fixed-resolution grids. This perspective enables a flexible training strategy that seamlessly accommodates various aspect ratios during both training and inference, thus promoting resolution generalization and eliminating biases introduced by image cropping. On this basis, we present the Flexible Vision Transformer (FiT), a transformer architecture specifically designed for generating images with unrestricted resolutions and aspect ratios. We further upgrade the FiT to FiTv2 with several innovative designs, includingthe Query-Key vector normalization, the AdaLN-LoRA module, a rectified flow scheduler, and a Logit-Normal sampler. Enhanced by a meticulously adjusted network structure, FiTv2 exhibits 2times convergence speed of FiT. When incorporating advanced training-free extrapolation techniques, FiTv2 demonstrates remarkable adaptability in both resolution extrapolation and diverse resolution generation. Additionally, our exploration of the scalability of the FiTv2 model reveals that larger models exhibit better computational efficiency. Furthermore, we introduce an efficient post-training strategy to adapt a pre-trained model for the high-resolution generation. Comprehensive experiments demonstrate the exceptional performance of FiTv2 across a broad range of resolutions. We have released all the codes and models at https://github.com/whlzy/FiT to promote the exploration of diffusion transformer models for arbitrary-resolution image generation.

  • 6 authors
·
Oct 17, 2024 3

Effective Length Extrapolation via Dimension-Wise Positional Embeddings Manipulation

Large Language Models (LLMs) often struggle to process and generate coherent context when the number of input tokens exceeds the pre-trained length. Recent advancements in long-context extension have significantly expanded the context window of LLMs but require expensive overhead to train the large-scale models with longer context. In this work, we propose Dimension-Wise Positional Embeddings Manipulation (DPE), a training-free framework to extrapolate the context window of LLMs by diving into RoPE's different hidden dimensions. Instead of manipulating all dimensions equally, DPE detects the effective length for every dimension and finds the key dimensions for context extension. We reuse the original position indices with their embeddings from the pre-trained model and manipulate the key dimensions' position indices to their most effective lengths. In this way, DPE adjusts the pre-trained models with minimal modifications while ensuring that each dimension reaches its optimal state for extrapolation. DPE significantly surpasses well-known baselines such as YaRN and Self-Extend. DPE enables Llama3-8k 8B to support context windows of 128k tokens without continual training and integrates seamlessly with Flash Attention 2. In addition to its impressive extrapolation capability, DPE also dramatically improves the models' performance within training length, such as Llama3.1 70B, by over 18 points on popular long-context benchmarks RULER. When compared with commercial models, Llama 3.1 70B with DPE even achieves better performance than GPT-4-128K.

  • 12 authors
·
Apr 26, 2025

SWIFT: Self-guided Weak-to-strong dIFfusion models via Target extrapolation

Training high-quality diffusion models is computationally expensive, and inference-time guidance often adds further sampling cost. In this work, we introduce Swift, a simple yet effective self-guided training method that uses a frozen weak denoiser to improve a stronger model without adding inference overhead. For each noisy input, Swift extrapolates the clean regression target away from the weak denoiser's prediction, amplifying components that remain underfit. The weak guide can be an early training checkpoint, requires no backpropagation during main-model training, and is discarded afterward. The resulting model retains the original sampler and supports both conditional and unconditional generation without label dropout or an unconditional branch. We explain this mechanism through a spectral analysis of finite-time population gradient flow in an RKHS. With an early-stopped weak guide, we prove that a nonempty range of extrapolation strengths yields strictly lower posterior-mean error than matched standard training, despite shifting the regression target away from the posterior mean. Experiments on CIFAR-10 and ImageNet-256 demonstrate improvements across model scales and representations. In one ImageNet-256 configuration, Swift surpasses the baseline's best FID using roughly half the total training compute, including guide preparation and training overhead. On RAEv2, it achieves FID 1.15 without inference-time guidance and 0.99 with guidance. These results establish target extrapolation as an effective approach to weak-to-strong diffusion training with efficient single-model inference.

alibabagroup alibaba
·
Oct 18 2

Enhancing Quantum Variational Algorithms with Zero Noise Extrapolation via Neural Networks

In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the ubiquitous presence of noise in quantum devices often limits the accuracy and reliability of VQE outcomes. This research introduces a novel approach to ameliorate this challenge by utilizing neural networks for zero noise extrapolation (ZNE) in VQE computations. By employing the Qiskit framework, we crafted parameterized quantum circuits using the RY-RZ ansatz and examined their behavior under varying levels of depolarizing noise. Our investigations spanned from determining the expectation values of a Hamiltonian, defined as a tensor product of Z operators, under different noise intensities to extracting the ground state energy. To bridge the observed outcomes under noise with the ideal noise-free scenario, we trained a Feed Forward Neural Network on the error probabilities and their associated expectation values. Remarkably, our model proficiently predicted the VQE outcome under hypothetical noise-free conditions. By juxtaposing the simulation results with real quantum device executions, we unveiled the discrepancies induced by noise and showcased the efficacy of our neural network-based ZNE technique in rectifying them. This integrative approach not only paves the way for enhanced accuracy in VQE computations on NISQ devices but also underlines the immense potential of hybrid quantum-classical paradigms in circumventing the challenges posed by quantum noise. Through this research, we envision a future where quantum algorithms can be reliably executed on noisy devices, bringing us one step closer to realizing the full potential of quantum computing.

  • 4 authors
·
Mar 10, 2024

Softplus Attention with Re-weighting Boosts Length Extrapolation in Large Language Models

Large language models have achieved remarkable success in recent years, primarily due to the implementation of self-attention mechanisms. However, traditional Softmax attention suffers from numerical instability and reduced performance as the length of inference tokens increases. This paper addresses these issues by decomposing the Softmax operation into a non-linear transformation and the l_1-norm. We identify the latter as essential for maintaining model performance. By replacing the non-linear transformation with the Softplus activation function and introducing a dynamic scale factor for different token lengths based on invariance entropy, we create a novel attention mechanism with performance better than conventional Softmax attention across various inference lengths. To further improve the length extrapolation ability of the proposed attention mechanism, we introduce a fine-tuning-free re-weighting mechanism that amplifies significant attention weights while diminishing weaker ones, enabling the model to concentrate more effectively on relevant tokens without requiring retraining. When combined with our proposed attention mechanism, this approach demonstrates significant promise in managing longer sequences, maintaining nearly constant validation loss even at 16times the training token length while ensuring numerical stability. Our code is available at: https://github.com/iminfine/freeatten.

  • 2 authors
·
Jan 23, 2025

How Far Can You Grow? Characterizing the Extrapolation Frontier of Graph Generative Models for Materials Science

Every generative model for crystalline materials harbors a critical structure size beyond which its outputs quietly become unreliable -- we call this the extrapolation frontier. Despite its direct consequences for nanomaterial design, this frontier has never been systematically measured. We introduce RADII, a radius-resolved benchmark of {sim}75,000 nanoparticle structures (55-11,298 atoms) that treats radius as a continuous scaling knob to trace generation quality from in-distribution to out-of-distribution regimes under leakage-free splits. RADII provides frontier-specific diagnostics: per-radius error profiles pinpoint each architecture's scaling ceiling, surface-interior decomposition tests whether failures originate at boundaries or in bulk, and cross-metric failure sequencing reveals which aspect of structural fidelity breaks first. Benchmarking five state-of-the-art architectures, we find that: (i) all models degrade by {sim}13% in global positional error beyond training radii, yet local bond fidelity diverges wildly across architectures -- from near-zero to over 2times collapse; (ii) no two architectures share the same failure sequence, revealing the frontier as a multi-dimensional surface shaped by model family; and (iii) well-behaved models obey a power-law scaling exponent αapprox 1/3 whose in-distribution fit accurately predicts out-of-distribution error, making their frontiers quantitatively forecastable. These findings establish output scale as a first-class evaluation axis for geometric generative models. The dataset and code are available at https://github.com/KurbanIntelligenceLab/RADII.

  • 4 authors
·
Feb 9

BlockFusion: Expandable 3D Scene Generation using Latent Tri-plane Extrapolation

We present BlockFusion, a diffusion-based model that generates 3D scenes as unit blocks and seamlessly incorporates new blocks to extend the scene. BlockFusion is trained using datasets of 3D blocks that are randomly cropped from complete 3D scene meshes. Through per-block fitting, all training blocks are converted into the hybrid neural fields: with a tri-plane containing the geometry features, followed by a Multi-layer Perceptron (MLP) for decoding the signed distance values. A variational auto-encoder is employed to compress the tri-planes into the latent tri-plane space, on which the denoising diffusion process is performed. Diffusion applied to the latent representations allows for high-quality and diverse 3D scene generation. To expand a scene during generation, one needs only to append empty blocks to overlap with the current scene and extrapolate existing latent tri-planes to populate new blocks. The extrapolation is done by conditioning the generation process with the feature samples from the overlapping tri-planes during the denoising iterations. Latent tri-plane extrapolation produces semantically and geometrically meaningful transitions that harmoniously blend with the existing scene. A 2D layout conditioning mechanism is used to control the placement and arrangement of scene elements. Experimental results indicate that BlockFusion is capable of generating diverse, geometrically consistent and unbounded large 3D scenes with unprecedented high-quality shapes in both indoor and outdoor scenarios.

  • 11 authors
·
Jan 30, 2024 1

Long-context Protein Language Model

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on individual proteins with short context lengths. Such protein LMs cannot extrapolate to longer proteins and protein complexes well. They also fail to account for the underlying biological mechanisms carried out by biomolecular interactions and dynamics i.e., proteins often interact with other proteins, molecules, and pathways in complex biological systems. In this work, we propose LC-PLM based on an alternative protein LM architecture, BiMamba-S, built off selective structured state-space models, to learn high-quality universal protein representations at the amino acid token level using masked language modeling. We also introduce its graph-contextual variant, LC-PLM-G, which contextualizes protein-protein interaction (PPI) graphs for a second stage of training. LC-PLM demonstrates favorable neural scaling laws, better length extrapolation capability, and a 7% to 34% improvement on protein downstream tasks than Transformer-based ESM-2. LC-PLM-G further trained within the context of PPI graphs shows promising results on protein structure and function prediction tasks. Our study demonstrates the benefit of increasing the context size with computationally efficient LM architecture (e.g. structured state space models) in learning universal protein representations and incorporating molecular interaction context contained in biological graphs.

  • 7 authors
·
Oct 29, 2024

RIBOSPAN: A Long-Context RNA Foundation Model for Versatile RNA Modeling

Full-length RNAs, particularly messenger RNAs, often exceed the context lengths used to pretrain existing RNA foundation models, limiting complete-transcript modeling at single-nucleotide resolution. We present RIBOSPAN, a 1.61-billion-parameter bidirectional RNA foundation model natively pretrained with context lengths up to 10,240 nt. RIBOSPAN combines dense bidirectional self-attention, single-nucleotide tokenization, and attention-isolated sequence packing to enable high-resolution modeling of complete long RNAs. We evaluate the model through nucleotide reconstruction, a controlled long-context representation benchmark, and frozen RNA-type representation analysis. Native 10K pretraining preserves strong reconstruction at 10,240 tokens, while continued pretraining with 40% masking improves recovery under heavy corruption while preserving representation quality. The long-context benchmark further shows that native 10K models maintain strong contextual responsiveness and context-specific representation separation while keeping perturbation-induced representation changes highly localized. Inference-time YaRN scaling recovers much of the contextual organization lost by direct extrapolation of short-context models, but induces substantially greater distal representation diffusion. Frozen-representation evaluations further demonstrate state-of-the-art RNA representation quality, with RIBOSPAN achieving the strongest overall performance across diverse RNA types and retaining a clear advantage on long RNAs. Building on the same backbone, we develop a multidimensionally conditioned discrete-diffusion framework for full-length mRNA generation and redesign, including synonymous-codon diffusion for protein-preserving CDS optimization. Together, RIBOSPAN establishes a powerful long-context foundation for transferable RNA representation learning and full-transcript mRNA design.

SII-GAIR-NLP SII-GAIR
·
Aug 23 2

Thus Spake Long-Context Large Language Model

Long context is an important topic in Natural Language Processing (NLP), running through the development of NLP architectures, and offers immense opportunities for Large Language Models (LLMs) giving LLMs the lifelong learning potential akin to humans. Unfortunately, the pursuit of a long context is accompanied by numerous obstacles. Nevertheless, long context remains a core competitive advantage for LLMs. In the past two years, the context length of LLMs has achieved a breakthrough extension to millions of tokens. Moreover, the research on long-context LLMs has expanded from length extrapolation to a comprehensive focus on architecture, infrastructure, training, and evaluation technologies. Inspired by the symphonic poem, Thus Spake Zarathustra, we draw an analogy between the journey of extending the context of LLM and the attempts of humans to transcend its mortality. In this survey, We will illustrate how LLM struggles between the tremendous need for a longer context and its equal need to accept the fact that it is ultimately finite. To achieve this, we give a global picture of the lifecycle of long-context LLMs from four perspectives: architecture, infrastructure, training, and evaluation, showcasing the full spectrum of long-context technologies. At the end of this survey, we will present 10 unanswered questions currently faced by long-context LLMs. We hope this survey can serve as a systematic introduction to the research on long-context LLMs.

  • 13 authors
·
Feb 24, 2025 6

AlignDistil: Token-Level Language Model Alignment as Adaptive Policy Distillation

In modern large language models (LLMs), LLM alignment is of crucial importance and is typically achieved through methods such as reinforcement learning from human feedback (RLHF) and direct preference optimization (DPO). However, in most existing methods for LLM alignment, all tokens in the response are optimized using a sparse, response-level reward or preference annotation. The ignorance of token-level rewards may erroneously punish high-quality tokens or encourage low-quality tokens, resulting in suboptimal performance and slow convergence speed. To address this issue, we propose AlignDistil, an RLHF-equivalent distillation method for token-level reward optimization. Specifically, we introduce the reward learned by DPO into the RLHF objective and theoretically prove the equivalence between this objective and a token-level distillation process, where the teacher distribution linearly combines the logits from the DPO model and a reference model. On this basis, we further bridge the accuracy gap between the reward from the DPO model and the pure reward model, by building a contrastive DPO reward with a normal and a reverse DPO model. Moreover, to avoid under- and over-optimization on different tokens, we design a token adaptive logit extrapolation mechanism to construct an appropriate teacher distribution for each token. Experimental results demonstrate the superiority of our AlignDistil over existing methods and showcase fast convergence due to its token-level distributional reward optimization.

  • 6 authors
·
Mar 4, 2025

sshELF: Single-Shot Hierarchical Extrapolation of Latent Features for 3D Reconstruction from Sparse-Views

Reconstructing unbounded outdoor scenes from sparse outward-facing views poses significant challenges due to minimal view overlap. Previous methods often lack cross-scene understanding and their primitive-centric formulations overload local features to compensate for missing global context, resulting in blurriness in unseen parts of the scene. We propose sshELF, a fast, single-shot pipeline for sparse-view 3D scene reconstruction via hierarchal extrapolation of latent features. Our key insights is that disentangling information extrapolation from primitive decoding allows efficient transfer of structural patterns across training scenes. Our method: (1) learns cross-scene priors to generate intermediate virtual views to extrapolate to unobserved regions, (2) offers a two-stage network design separating virtual view generation from 3D primitive decoding for efficient training and modular model design, and (3) integrates a pre-trained foundation model for joint inference of latent features and texture, improving scene understanding and generalization. sshELF can reconstruct 360 degree scenes from six sparse input views and achieves competitive results on synthetic and real-world datasets. We find that sshELF faithfully reconstructs occluded regions, supports real-time rendering, and provides rich latent features for downstream applications. The code will be released.

  • 5 authors
·
Feb 6, 2025

Self Gradient Forcing: Native Long Video Extrapolation

Recent autoregressive video diffusion methods are increasingly built upon Self Forcing, where the student is trained on histories produced by its own rollout rather than ground-truth video contexts. This reduces exposure bias, but the historical key-value cache is still used by future frames only as frozen rollout state. As a result, future losses cannot supervise how earlier generated latents should be written into more useful keys and values for later video-latent generation. We call this the historical context-gradient gap. We propose Self Gradient Forcing (SGF), a two-pass training strategy that restores this missing supervision signal without backpropagating through the full serial rollout. Pass 1 performs a no-gradient autoregressive rollout matching inference and, at a sampled denoising exit step, records both the self-generated context and the noisy latents fed to the model. Pass 2 performs parallel context-gradient reconstruction for the recorded exit step. The generated context is used as stop-gradient clean-latent input, while the model recomputes the context KV representations and future-to-context causal attention. Thus, SGF provides the missing memory-writing supervision within the native autoregressive training objective, using losses on future video latents to train the model to encode context into more effective causal memory. Across extensive long-horizon frame-wise and chunk-wise experiments under different initializations, SGF achieves stronger native long-video extrapolation than Self Forcing, especially in subject identity, background/layout consistency, and temporal stability. Remarkably, using only a 5-second training window, SGF can extrapolate to videos lasting several minutes. Code and models will be released to advance research on autoregressive video generation.

  • 14 authors
·
Jul 21 3

StormDiT: A generative AI model bridges the 2-6 hour 'gray zone' in precipitation nowcasting

Accurate short-term warnings for extreme precipitation are critical for global disaster mitigation but are hindered by a persistent predictability barrier at the 2-6 hour horizon -- the "nowcasting gray zone." In this window, traditional observation-based extrapolation fails due to error accumulation, while numerical weather prediction is computationally too slow to resolve storm-scale dynamics. Recent generative AI approaches attempt to bridge this gap by decomposing precipitation into separate deterministic advection and stochastic diffusion components. However, this decomposition can sever fundamental causal links between entangled atmospheric processes, such as the dynamic initiation of convection triggered by boundary advection. Here we present StormDiT, a unified generative model that treats weather evolution as a holistic spatiotemporal problem, learning the coupled physics of the gray zone without human-imposed structural priors. Trained on a massive dataset of 7,720 precipitation events from China, our model achieves a breakthrough in long-horizon stability. On a heavy-rainfall test set, it maintains skillful prediction for strong convection (ge 35 dBZ) with a Critical Success Index (CSI) near 0.2 across the full 6-hour forecast at 6-minute resolution. Crucially, the model exhibits superior probabilistic calibration, accurately quantifying operational risks. On the public SEVIR benchmark, our unified paradigm more than doubles the state-of-the-art 1-hour performance for heavy rain and establishes the first robust baseline for 3-hour forecasting. Furthermore, interpretability analysis reveals that the model attends to non-local physical precursors, such as outflow boundaries, explicitly validating its emergent understanding of convective organization.

  • 9 authors
·
Jan 27

Pretraining Data Mixtures Enable Narrow Model Selection Capabilities in Transformer Models

Transformer models, notably large language models (LLMs), have the remarkable ability to perform in-context learning (ICL) -- to perform new tasks when prompted with unseen input-output examples without any explicit model training. In this work, we study how effectively transformers can bridge between their pretraining data mixture, comprised of multiple distinct task families, to identify and learn new tasks in-context which are both inside and outside the pretraining distribution. Building on previous work, we investigate this question in a controlled setting, where we study transformer models trained on sequences of (x, f(x)) pairs rather than natural language. Our empirical results show transformers demonstrate near-optimal unsupervised model selection capabilities, in their ability to first in-context identify different task families and in-context learn within them when the task families are well-represented in their pretraining data. However when presented with tasks or functions which are out-of-domain of their pretraining data, we demonstrate various failure modes of transformers and degradation of their generalization for even simple extrapolation tasks. Together our results highlight that the impressive ICL abilities of high-capacity sequence models may be more closely tied to the coverage of their pretraining data mixtures than inductive biases that create fundamental generalization capabilities.

  • 3 authors
·
Nov 1, 2023 1

Beyond Finite Data: Towards Data-free Out-of-distribution Generalization via Extrapolation

Out-of-distribution (OOD) generalization is a favorable yet challenging property for deep neural networks. The core challenges lie in the limited availability of source domains that help models learn an invariant representation from the spurious features. Various domain augmentation have been proposed but largely rely on interpolating existing domains and frequently face difficulties in creating truly "novel" domains. Humans, on the other hand, can easily extrapolate novel domains, thus, an intriguing question arises: How can neural networks extrapolate like humans and achieve OOD generalization? We introduce a novel approach to domain extrapolation that leverages reasoning ability and the extensive knowledge encapsulated within large language models (LLMs) to synthesize entirely new domains. Starting with the class of interest, we query the LLMs to extract relevant knowledge for these novel domains. We then bridge the gap between the text-centric knowledge derived from LLMs and the pixel input space of the model using text-to-image generation techniques. By augmenting the training set of domain generalization datasets with high-fidelity, photo-realistic images of these new domains, we achieve significant improvements over all existing methods, as demonstrated in both single and multi-domain generalization across various benchmarks. With the ability to extrapolate any domains for any class, our method has the potential to learn a generalized model for any task without any data. To illustrate, we put forth a much more difficult setting termed, data-free domain generalization, that aims to learn a generalized model in the absence of any collected data. Our empirical findings support the above argument and our methods exhibit commendable performance in this setting, even surpassing the supervised setting by approximately 1-2\% on datasets such as VLCS.

  • 7 authors
·
Mar 8, 2024

MIRA: Medical Time Series Foundation Model for Real-World Health Data

A unified foundation model for medical time series -- pretrained on open access and ethics board-approved medical corpora -- offers the potential to reduce annotation burdens, minimize model customization, and enable robust transfer across clinical institutions, modalities, and tasks, particularly in data-scarce or privacy-constrained environments. However, existing generalist time series foundation models struggle to handle medical time series data due to their inherent challenges, including irregular intervals, heterogeneous sampling rates, and frequent missing values. To address these challenges, we introduce MIRA, a unified foundation model specifically designed for medical time series forecasting. MIRA incorporates a Continuous-Time Rotary Positional Encoding that enables fine-grained modeling of variable time intervals, a frequency-specific mixture-of-experts layer that routes computation across latent frequency regimes to further promote temporal specialization, and a Continuous Dynamics Extrapolation Block based on Neural ODE that models the continuous trajectory of latent states, enabling accurate forecasting at arbitrary target timestamps. Pretrained on a large-scale and diverse medical corpus comprising over 454 billion time points collect from publicly available datasets, MIRA achieves reductions in forecasting errors by an average of 10% and 7% in out-of-distribution and in-distribution scenarios, respectively, when compared to other zero-shot and fine-tuned baselines. We also introduce a comprehensive benchmark spanning multiple downstream clinical tasks, establishing a foundation for future research in medical time series modeling.

  • 11 authors
·
Jun 9, 2025

Latent Dynamics Graph Convolutional Networks for model order reduction of parameterized time-dependent PDEs

Graph Neural Networks (GNNs) are emerging as powerful tools for nonlinear Model Order Reduction (MOR) of time-dependent parameterized Partial Differential Equations (PDEs). However, existing methodologies struggle to combine geometric inductive biases with interpretable latent behavior, overlooking dynamics-driven features or disregarding spatial information. In this work, we address this gap by introducing Latent Dynamics Graph Convolutional Network (LD-GCN), a purely data-driven, encoder-free architecture that learns a global, low-dimensional representation of dynamical systems conditioned on external inputs and parameters. The temporal evolution is modeled in the latent space and advanced through time-stepping, allowing for time-extrapolation, and the trajectories are consistently decoded onto geometrically parameterized domains using a GNN. Our framework enhances interpretability by enabling the analysis of the reduced dynamics and supporting zero-shot prediction through latent interpolation. The methodology is mathematically validated via a universal approximation theorem for encoder-free architectures, and numerically tested on complex computational mechanics problems involving physical and geometric parameters, including the detection of bifurcating phenomena for Navier-Stokes equations. Code availability: https://github.com/lorenzotomada/ld-gcn-rom

  • 3 authors
·
Jan 15

Learning beyond Teacher: Generalized On-Policy Distillation with Reward Extrapolation

On-policy distillation (OPD), which aligns the student with the teacher's logit distribution on student-generated trajectories, has demonstrated strong empirical gains in improving student performance and often outperforms off-policy distillation and reinforcement learning (RL) paradigms. In this work, we first theoretically show that OPD is a special case of dense KL-constrained RL where the reward function and the KL regularization are always weighted equally and the reference model can by any model. Then, we propose the Generalized On-Policy Distillation (G-OPD) framework, which extends the standard OPD objective by introducing a flexible reference model and a reward scaling factor that controls the relative weight of the reward term against the KL regularization. Through comprehensive experiments on math reasoning and code generation tasks, we derive two novel insights: (1) Setting the reward scaling factor to be greater than 1 (i.e., reward extrapolation), which we term ExOPD, consistently improves over standard OPD across a range of teacher-student size pairings. In particular, in the setting where we merge the knowledge from different domain experts, obtained by applying domain-specific RL to the same student model, back into the original student, ExOPD enables the student to even surpass the teacher's performance boundary and outperform the domain teachers. (2) Building on ExOPD, we further find that in the strong-to-weak distillation setting (i.e., distilling a smaller student from a larger teacher), performing reward correction by choosing the reference model as the teacher's base model before RL yields a more accurate reward signal and further improves distillation performance. However, this choice assumes access to the teacher's pre-RL variant and incurs more computational overhead. We hope our work offers new insights for future research on OPD.

ThinkJEPA: Empowering Latent World Models with Large Vision-Language Reasoning Model

Recent progress in latent world models (e.g., V-JEPA2) has shown promising capability in forecasting future world states from video observations. Nevertheless, dense prediction from a short observation window limits temporal context and can bias predictors toward local, low-level extrapolation, making it difficult to capture long-horizon semantics and reducing downstream utility. Vision--language models (VLMs), in contrast, provide strong semantic grounding and general knowledge by reasoning over uniformly sampled frames, but they are not ideal as standalone dense predictors due to compute-driven sparse sampling, a language-output bottleneck that compresses fine-grained interaction states into text-oriented representations, and a data-regime mismatch when adapting to small action-conditioned datasets. We propose a VLM-guided JEPA-style latent world modeling framework that combines dense-frame dynamics modeling with long-horizon semantic guidance via a dual-temporal pathway: a dense JEPA branch for fine-grained motion and interaction cues, and a uniformly sampled VLM thinker branch with a larger temporal stride for knowledge-rich guidance. To transfer the VLM's progressive reasoning signals effectively, we introduce a hierarchical pyramid representation extraction module that aggregates multi-layer VLM representations into guidance features compatible with latent prediction. Experiments on hand-manipulation trajectory prediction show that our method outperforms both a strong VLM-only baseline and a JEPA-predictor baseline, and yields more robust long-horizon rollout behavior.

  • 8 authors
·
Mar 23 2

Parallel Bayesian Optimization of Agent-based Transportation Simulation

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

Qwen2.5-1M Technical Report

We introduce Qwen2.5-1M, a series of models that extend the context length to 1 million tokens. Compared to the previous 128K version, the Qwen2.5-1M series have significantly enhanced long-context capabilities through long-context pre-training and post-training. Key techniques such as long data synthesis, progressive pre-training, and multi-stage supervised fine-tuning are employed to effectively enhance long-context performance while reducing training costs. To promote the use of long-context models among a broader user base, we present and open-source our inference framework. This framework includes a length extrapolation method that can expand the model context lengths by at least four times, or even more, without additional training. To reduce inference costs, we implement a sparse attention method along with chunked prefill optimization for deployment scenarios and a sparsity refinement method to improve precision. Additionally, we detail our optimizations in the inference engine, including kernel optimization, pipeline parallelism, and scheduling optimization, which significantly enhance overall inference performance. By leveraging our inference framework, the Qwen2.5-1M models achieve a remarkable 3x to 7x prefill speedup in scenarios with 1 million tokens of context. This framework provides an efficient and powerful solution for developing applications that require long-context processing using open-source models. The Qwen2.5-1M series currently includes the open-source models Qwen2.5-7B-Instruct-1M and Qwen2.5-14B-Instruct-1M, as well as the API-accessed model Qwen2.5-Turbo. Evaluations show that Qwen2.5-1M models have been greatly improved in long-context tasks without compromising performance in short-context scenarios. Specifically, the Qwen2.5-14B-Instruct-1M model significantly outperforms GPT-4o-mini in long-context tasks and supports contexts eight times longer.

  • 28 authors
·
Jan 25, 2025 4

Statistical Estimation of Adversarial Risk in Large Language Models under Best-of-N Sampling

Large Language Models (LLMs) are typically evaluated for safety under single-shot or low-budget adversarial prompting, which underestimates real-world risk. In practice, attackers can exploit large-scale parallel sampling to repeatedly probe a model until a harmful response is produced. While recent work shows that attack success increases with repeated sampling, principled methods for predicting large-scale adversarial risk remain limited. We propose a scaling-aware Best-of-N estimation of risk, SABER, for modeling jailbreak vulnerability under Best-of-N sampling. We model sample-level success probabilities using a Beta distribution, the conjugate prior of the Bernoulli distribution, and derive an analytic scaling law that enables reliable extrapolation of large-N attack success rates from small-budget measurements. Using only n=100 samples, our anchored estimator predicts ASR@1000 with a mean absolute error of 1.66, compared to 12.04 for the baseline, which is an 86.2% reduction in estimation error. Our results reveal heterogeneous risk scaling profiles and show that models appearing robust under standard evaluation can experience rapid nonlinear risk amplification under parallel adversarial pressure. This work provides a low-cost, scalable methodology for realistic LLM safety assessment. We will release our code and evaluation scripts upon publication to future research.

microsoft Microsoft
·
Jan 30 3

With Greater Text Comes Greater Necessity: Inference-Time Training Helps Long Text Generation

Long text generation, such as novel writing and discourse-level translation with extremely long contexts, presents significant challenges to current language models. Existing methods mainly focus on extending the model's context window through strategies like length extrapolation. However, these approaches demand substantial hardware resources during the training and/or inference phases. Our proposed method, Temp-Lora, introduces an alternative concept. Instead of relying on the KV cache to store all context information, we embeds this information directly into a temporary Lora module. In the process of long text generation, this module is progressively trained with text generated previously. This approach not only efficiently preserves contextual knowledge but also prevents any permanent alteration to the model's parameters given that the module is discarded post-generation. Extensive experiments on the PG19 language modeling benchmark and the GuoFeng discourse-level translation benchmark validate the effectiveness of Temp-Lora. Our results show that: 1) Temp-Lora substantially enhances generation quality for long text, as indicated by a 13.2% decrease in perplexity (PPL) on a subset of PG19, and a 29.3% decrease in PPL along with a 113.2% increase in BLEU score on a subset of GuoFeng, 2) Temp-Lora is compatible with and enhances most existing long text generation methods, and 3) Temp-Lora can greatly reduce computational costs by shortening the context window. For example, we can ensure a moderate improvement in generation quality (a decrease of 3.8% in PPL) while enabling a 51.5% memory usage reduction and a 60.0% decrease in latency for inference.

  • 3 authors
·
Jan 21, 2024

Post-processing Probabilistic Forecasts of the Solar Wind by Data Mining Similar Scenarios

The solar wind speed at Earth is one of the most important parameters regarding the effects of space weather on society. Thus far, most approaches for predicting the solar wind speed produce a single-value time series without uncertainty, or utilize ensemble methods which require custom calibration development. In this study, a method is developed that produces calibrated probabilistic forecasts of the solar wind speed using skew normal distributions and a novel extension of analog ensembles. In our extension, the single-value predictions from a baseline model of the next Δt days are used along with Δwindow hours of recent observations and single-value predictions to create a forecasting scenario vector that is compared against a historical database for outcomes. The baseline model used is the combined Air Force Data Assimilative Photospheric Flux Transport-Wang Sheeley Arge (ADAPT-WSA) model and the WSA point parcel simulation, but the method is directly applicable to other deterministic models including components such as Enlil or the Heliospheric Upwind Extrapolation with time dependence model (HUXt). The approach works notably well on the benchmark of whether observations fall within the p^{th} percentile p% of the time (for p between 0 and 100). Falling back on the mean or median of the predicted distribution as a non-probabilistic prediction yields a direct improvement in root-mean-square error (RMSE) over the original WSA point parcel simulation, and is shown to beat approx 1 solar rotation recurrence for 1-5 day ahead forecasts.

  • 4 authors
·
Mar 11

Generalization techniques of neural networks for fluid flow estimation

We demonstrate several techniques to encourage practical uses of neural networks for fluid flow estimation. In the present paper, three perspectives which are remaining challenges for applications of machine learning to fluid dynamics are considered: 1. interpretability of machine-learned results, 2. bulking out of training data, and 3. generalizability of neural networks. For the interpretability, we first demonstrate two methods to observe the internal procedure of neural networks, i.e., visualization of hidden layers and application of gradient-weighted class activation mapping (Grad-CAM), applied to canonical fluid flow estimation problems -- (1) drag coefficient estimation of a cylinder wake and (2) velocity estimation from particle images. It is exemplified that both approaches can successfully tell us evidences of the great capability of machine learning-based estimations. We then utilize some techniques to bulk out training data for super-resolution analysis and temporal prediction for cylinder wake and NOAA sea surface temperature data to demonstrate that sufficient training of neural networks with limited amount of training data can be achieved for fluid flow problems. The generalizability of machine learning model is also discussed by accounting for the perspectives of inter/extrapolation of training data, considering super-resolution of wakes behind two parallel cylinders. We find that various flow patterns generated by complex interaction between two cylinders can be reconstructed well, even for the test configurations regarding the distance factor. The present paper can be a significant step toward practical uses of neural networks for both laminar and turbulent flow problems.

  • 4 authors
·
Nov 24, 2020

Giraffe: Adventures in Expanding Context Lengths in LLMs

Modern large language models (LLMs) that rely on attention mechanisms are typically trained with fixed context lengths which enforce upper limits on the length of input sequences that they can handle at evaluation time. To use these models on sequences longer than the train-time context length, one might employ techniques from the growing family of context length extrapolation methods -- most of which focus on modifying the system of positional encodings used in the attention mechanism to indicate where tokens or activations are located in the input sequence. We conduct a wide survey of existing methods of context length extrapolation on a base LLaMA or LLaMA 2 model, and introduce some of our own design as well -- in particular, a new truncation strategy for modifying the basis for the position encoding. We test these methods using three new evaluation tasks (FreeFormQA, AlteredNumericQA, and LongChat-Lines) as well as perplexity, which we find to be less fine-grained as a measure of long context performance of LLMs. We release the three tasks publicly as datasets on HuggingFace. We discover that linear scaling is the best method for extending context length, and show that further gains can be achieved by using longer scales at evaluation time. We also discover promising extrapolation capabilities in the truncated basis. To support further research in this area, we release three new 13B parameter long-context models which we call Giraffe: 4k and 16k context models trained from base LLaMA-13B, and a 32k context model trained from base LLaMA2-13B. We also release the code to replicate our results.

  • 6 authors
·
Aug 21, 2023

Hallo3: Highly Dynamic and Realistic Portrait Image Animation with Diffusion Transformer Networks

Existing methodologies for animating portrait images face significant challenges, particularly in handling non-frontal perspectives, rendering dynamic objects around the portrait, and generating immersive, realistic backgrounds. In this paper, we introduce the first application of a pretrained transformer-based video generative model that demonstrates strong generalization capabilities and generates highly dynamic, realistic videos for portrait animation, effectively addressing these challenges. The adoption of a new video backbone model makes previous U-Net-based methods for identity maintenance, audio conditioning, and video extrapolation inapplicable. To address this limitation, we design an identity reference network consisting of a causal 3D VAE combined with a stacked series of transformer layers, ensuring consistent facial identity across video sequences. Additionally, we investigate various speech audio conditioning and motion frame mechanisms to enable the generation of continuous video driven by speech audio. Our method is validated through experiments on benchmark and newly proposed wild datasets, demonstrating substantial improvements over prior methods in generating realistic portraits characterized by diverse orientations within dynamic and immersive scenes. Further visualizations and the source code are available at: https://fudan-generative-vision.github.io/hallo3/.

  • 10 authors
·
Dec 1, 2024

Wavelet-based Positional Representation for Long Context

In the realm of large-scale language models, a significant challenge arises when extrapolating sequences beyond the maximum allowable length. This is because the model's position embedding mechanisms are limited to positions encountered during training, thus preventing effective representation of positions in longer sequences. We analyzed conventional position encoding methods for long contexts and found the following characteristics. (1) When the representation dimension is regarded as the time axis, Rotary Position Embedding (RoPE) can be interpreted as a restricted wavelet transform using Haar-like wavelets. However, because it uses only a fixed scale parameter, it does not fully exploit the advantages of wavelet transforms, which capture the fine movements of non-stationary signals using multiple scales (window sizes). This limitation could explain why RoPE performs poorly in extrapolation. (2) Previous research as well as our own analysis indicates that Attention with Linear Biases (ALiBi) functions similarly to windowed attention, using windows of varying sizes. However, it has limitations in capturing deep dependencies because it restricts the receptive field of the model. From these insights, we propose a new position representation method that captures multiple scales (i.e., window sizes) by leveraging wavelet transforms without limiting the model's attention field. Experimental results show that this new method improves the performance of the model in both short and long contexts. In particular, our method allows extrapolation of position information without limiting the model's attention field.

  • 4 authors
·
Feb 3, 2025

What Will This Copper Look Like Later? Forecasting Surface Appearance and Rendering It as a PBR Material

Digital design requires predicting how a metal surface will look later in its oxidation; this paper presents such a pipeline for copper. Given a fixed-camera observation, the system forecasts appearance 10 accelerated units ahead and converts it into the albedo, normal, roughness and metallic maps a renderer consumes. Forecasting is evaluated as an authoring tool would use it, on a copper specimen the system has not observed: an entire recording is held out, so training and checkpoint selection use one specimen and the test set is the whole of a second, recorded on a different day and condition. Under this protocol a learned spatio-temporal model with a monotone oxidation state, the most accurate forecaster within a single recording, is less accurate than copying the last observed frame on an unseen specimen, in both directions, as are three further trained architectures. The only forecaster that transfers is a closed-form global color extrapolation with no trained parameters, improving on copy-last-frame by 13.4% and 50.6%, with a margin that increases with horizon to +16.7% and +55.5% at t+10. Two controls qualify this: correcting every frame for the photometric drift measured on a non-oxidizing reference region leaves both margins intact, ruling out uncontrolled exposure as their source, and a moving-block bootstrap over the 6 independent windows each recording contains separates the larger margin from zero but leaves the smaller one not individually significant. The mechanism is measured: a learned susceptibility map encodes where corrosion begins on the training specimen and misleads on a new one, whereas the global color trajectory is what specimens share. The pipeline therefore deploys the closed-form forecaster for unseen specimens and the learned model only for continuing one already observed. Code, splits, protocol and leakage audit are released.

  • 4 authors
·
Aug 27

The Teacher Is a Direction, Not a Destination: Extrapolating RL-Induced Representation Residuals in On-Policy Distillation

On-policy distillation (OPD) trains a student to match the teacher's next-token distributions on the student's own trajectories and has yielded substantial empirical gains. Generalized variants allow the student to surpass the teacher by extrapolating an implicit reward in output space. The language-model head, however, attenuates this change anisotropically: much of the change encoded in the teacher's hidden states reaches the logits at a small fraction of its weight, and the sampled-token log-probability ratios on which output-space extrapolation relies inject noise that the extrapolation amplifies, making training unstable. We observe that reinforcement learning (RL) shifts a model's internal representations relative to its base checkpoint, and that the direction of this shift can be measured at every layer. Motivated by this observation, we propose RIDE (RL-Induced Direction Extrapolation), which extrapolates the RL-induced change directly in representation space: at every layer and token position, RIDE computes the residual between the teacher and its pre-RL checkpoint and regresses the student's hidden states toward targets displaced beyond the teacher along this residual. Conditioned on a sampled trajectory, this regression is equivalent to maximizing a linear directional reward defined by the residual under a quadratic penalty centered at the teacher, which makes explicit how the objective moves the student along the RL-induced direction while limiting its deviation from the teacher. Across four base/RL-teacher pairs spanning different scales, architectures, and pre-training lineages, RIDE approaches or exceeds the RL-trained teacher on every pair and is the only method whose mean does so, and it consistently outperforms output-space extrapolation, which degrades the student whenever the teacher is close to its base. Project page: https://github.com/xixixixixxxx/RIDE.

  • 7 authors
·
Sep 28 5

Continuous-Time Distribution Matching for Few-Step Diffusion Distillation

Step distillation has become a leading technique for accelerating diffusion models, among which Distribution Matching Distillation (DMD) and Consistency Distillation are two representative paradigms. While consistency methods enforce self-consistency along the full PF-ODE trajectory to steer it toward the clean data manifold, vanilla DMD relies on sparse supervision at a few predefined discrete timesteps. This restricted discrete-time formulation and mode-seeking nature of the reverse KL divergence tends to exhibit visual artifacts and over-smoothed outputs, often necessitating complex auxiliary modules -- such as GANs or reward models -- to restore visual fidelity. In this work, we introduce Continuous-Time Distribution Matching (CDM), migrating the DMD framework from discrete anchoring to continuous optimization for the first time. CDM achieves this through two continuous-time designs. First, we replace the fixed discrete schedule with a dynamic continuous schedule of random length, so that distribution matching is enforced at arbitrary points along sampling trajectories rather than only at a few fixed anchors. Second, we propose a continuous-time alignment objective that performs active off-trajectory matching on latents extrapolated via the student's velocity field, improving generalization and preserving fine visual details. Extensive experiments on different architectures, including SD3-Medium and Longcat-Image, demonstrate that CDM provides highly competitive visual fidelity for few-step image generation without relying on complex auxiliary objectives. Code is available at https://github.com/byliutao/cdm.

AGI-LAB-HF AGI Lab
·
May 6 4

MetricGrids: Arbitrary Nonlinear Approximation with Elementary Metric Grids based Implicit Neural Representation

This paper presents MetricGrids, a novel grid-based neural representation that combines elementary metric grids in various metric spaces to approximate complex nonlinear signals. While grid-based representations are widely adopted for their efficiency and scalability, the existing feature grids with linear indexing for continuous-space points can only provide degenerate linear latent space representations, and such representations cannot be adequately compensated to represent complex nonlinear signals by the following compact decoder. To address this problem while keeping the simplicity of a regular grid structure, our approach builds upon the standard grid-based paradigm by constructing multiple elementary metric grids as high-order terms to approximate complex nonlinearities, following the Taylor expansion principle. Furthermore, we enhance model compactness with hash encoding based on different sparsities of the grids to prevent detrimental hash collisions, and a high-order extrapolation decoder to reduce explicit grid storage requirements. experimental results on both 2D and 3D reconstructions demonstrate the superior fitting and rendering accuracy of the proposed method across diverse signal types, validating its robustness and generalizability. Code is available at https://github.com/wangshu31/MetricGrids}{https://github.com/wangshu31/MetricGrids.

  • 8 authors
·
Mar 12, 2025

AutoLLMResearch: Training Research Agents for Automating LLM Experiment Configuration -- Learning from Cheap, Optimizing Expensive

Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial computational resources and prevent models from realizing their full potential. Prior automated methods are designed for low-cost settings where repeated trial and error is feasible, but scalable LLM experiments are too expensive for such extensive iteration. To our knowledge, no work has addressed the automation of high-cost LLM experiment configurations, leaving this problem labor-intensive and dependent on expert intuition. Motivated by this gap, we propose AutoLLMResearch, an agentic framework that mimics how human researchers learn generalizable principles from low-fidelity experiments and extrapolate to efficiently identify promising configurations in expensive LLM settings. The core challenge is how to enable an agent to learn, through interaction with a multi-fidelity experimental environment that captures the structure of the LLM configuration landscape. To achieve this, we propose a systematic framework with two key components: 1) LLMConfig-Gym, a multi-fidelity environment encompassing four critical LLM experiment tasks, supported by over one million GPU hours of verifiable experiment outcomes; 2) A structured training pipeline that formulates configuration research as a long-horizon Markov Decision Process and accordingly incentivizes cross-fidelity extrapolation reasoning. Extensive evaluation against diverse strong baselines on held-out experiments demonstrates the effectiveness, generalization, and interpretability of our framework, supporting its potential as a practical and general solution for scalable real-world LLM experiment automation.

Dissecting the Failure of Invariant Learning on Graphs

Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area of research. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant learning methods -- Invariant Risk Minimization (IRM) and Variance-Risk Extrapolation (VREx) -- in node-level OOD settings. Our analysis reveals a critical limitation: due to the lack of class-conditional invariance constraints, these methods may struggle to accurately identify the structure of the predictive invariant ego-graph and consequently rely on spurious features. To address this, we propose Cross-environment Intra-class Alignment (CIA), which explicitly eliminates spurious features by aligning cross-environment representations conditioned on the same class, bypassing the need for explicit knowledge of the causal pattern structure. To adapt CIA to node-level OOD scenarios where environment labels are hard to obtain, we further propose CIA-LRA (Localized Reweighting Alignment) that leverages the distribution of neighboring labels to selectively align node representations, effectively distinguishing and preserving invariant features while removing spurious ones, all without relying on environment labels. We theoretically prove CIA-LRA's effectiveness by deriving an OOD generalization error bound based on PAC-Bayesian analysis. Experiments on graph OOD benchmarks validate the superiority of CIA and CIA-LRA, marking a significant advancement in node-level OOD generalization. The codes are available at https://github.com/NOVAglow646/NeurIPS24-Invariant-Learning-on-Graphs.

  • 4 authors
·
Nov 5, 2024

Learning to Chain Operations by Routing Information Through a Global Workspace

We present a model inspired by the Global Workspace Theory that integrates specialized modules to perform a sequential reasoning task. A controller selectively routes information between modules through the workspace using a gating mechanism. This approach allows the model to chain operations by iteratively broadcasting information between specialized domains, mimicking System-2 reasoning. We evaluate the model's performance on a simple addition task, where two addends must be summed. The task can be solved by routing information sequentially through an Input module, an Increment module (multiple times), and finally an Output module. We consider two implementations of this system with increasing complexity. First, using hand-designed modules operating on one-hot digit representations, the controller (a LSTM recurrent network) learns to select the appropriate modules (input, increment, output) in the appropriate sequence. Second, we replace the hand-designed modules with learned representation modules for MNIST images and an increment module trained on the task objectives; here again, the controller learns the appropriate sequential module selection to solve the task. Finally, we show that the Global Workspace model, while having fewer parameters, outperforms LSTMs and Transformers when tested on unseen addition operations (both interpolations and extrapolations of addition operations seen during training). Our results highlight the potential of architectures inspired by the Global Workspace Theory to enhance deep learning's reasoning capabilities.

  • 2 authors
·
Feb 28, 2025

DDSP: Differentiable Digital Signal Processing

Most generative models of audio directly generate samples in one of two domains: time or frequency. While sufficient to express any signal, these representations are inefficient, as they do not utilize existing knowledge of how sound is generated and perceived. A third approach (vocoders/synthesizers) successfully incorporates strong domain knowledge of signal processing and perception, but has been less actively researched due to limited expressivity and difficulty integrating with modern auto-differentiation-based machine learning methods. In this paper, we introduce the Differentiable Digital Signal Processing (DDSP) library, which enables direct integration of classic signal processing elements with deep learning methods. Focusing on audio synthesis, we achieve high-fidelity generation without the need for large autoregressive models or adversarial losses, demonstrating that DDSP enables utilizing strong inductive biases without losing the expressive power of neural networks. Further, we show that combining interpretable modules permits manipulation of each separate model component, with applications such as independent control of pitch and loudness, realistic extrapolation to pitches not seen during training, blind dereverberation of room acoustics, transfer of extracted room acoustics to new environments, and transformation of timbre between disparate sources. In short, DDSP enables an interpretable and modular approach to generative modeling, without sacrificing the benefits of deep learning. The library is publicly available at https://github.com/magenta/ddsp and we welcome further contributions from the community and domain experts.

  • 4 authors
·
Jan 14, 2020

You Only Need Minimal RLVR Training: Extrapolating LLMs via Rank-1 Trajectories

Reinforcement learning with verifiable rewards (RLVR) has become a dominant paradigm for improving reasoning in large language models (LLMs), yet the underlying geometry of the resulting parameter trajectories remains underexplored. In this work, we demonstrate that RLVR weight trajectories are extremely low-rank and highly predictable. Specifically, we find that the majority of downstream performance gains are captured by a rank-1 approximation of the parameter deltas, where the magnitude of this projection evolves near-linearly with training steps. Motivated by this, we propose a simple and compute-efficient method RELEX (REinforcement Learning EXtrapolation), which estimates the rank-1 subspace from a short observation window and extrapolates future checkpoints via linear regression, with no learned model required. Across three models (i.e., Qwen2.5-Math-1.5B, Qwen3-4B-Base, and Qwen3-8B-Base), RELEX produces checkpoints that match or exceed RLVR performance on both in-domain and out-of-domain benchmarks, requiring as few as 15% steps of full RLVR training. Remarkably, RELEX is able to extrapolate far beyond the observation window at no training cost, predicting checkpoints up to 10-20times beyond the observed prefix with continued improvement (e.g., observe only the first 50 steps and extrapolate to 1000 steps). Our ablation analysis confirms the minimalist sufficiency of RELEX: neither increasing the subspace rank nor employing non-linear modeling yields further gains in extrapolation. Finally, we show that RELEX's success stems from a "denoising" effect: by projecting updates onto the rank-1 subspace, the model discards stochastic optimization noise that would otherwise degrade performance during extrapolation. Our code is available at https://github.com/weizhepei/RELEX.

  • 6 authors
·
May 19 1

Learning to Act under Visual Interruptions with Vision-Language-Action Models

Vision-language-action (VLA) models have demonstrated strong capabilities in robotic manipulation, but they are typically developed and evaluated with all camera streams available throughout task execution. When a camera stops delivering frames during task execution, the policy must continue acting without access to subsequent observations from the missing view. Despite its practical importance, how such interruptions affect closed-loop manipulation remains insufficiently understood. To investigate this problem, we introduce MAIL-Bench, a benchmark that evaluates visual interruptions with VLA models. By interrupting different cameras at multiple stages of each policy's successful reference trajectory, MAIL-Bench measures how well policies retain their capabilities when visual inputs become unavailable. Building on this benchmark, we propose MINT, which first trains VLA policies to remain functional under missing visual inputs. At inference time, MINT selectively supplements missing observations using optical-flow extrapolation or an action-conditioned world model, and withdraws predicted views when they become unreliable. Experiments on π_{0.5} and GR00T N1.5 show that MINT significantly improves task success under camera loss over the original models. Experiments on AgiBot G2 further demonstrate the real-robot deployment under camera loss. The benchmark is available at https://minglejiang.github.io/Mail-Bench/

  • 4 authors
·
Sep 27