Haotian Ye

Collin Burns, Haotian Ye, Dan Klein et al. · anthropic

Existing techniques for training language models can be misaligned with the truth: if we train models with imitation learning, they may reproduce errors that humans make; if we train them to generate text that humans rate highly, they may output errors that human evaluators can't detect. We propose circumventing this issue by directly finding latent knowledge inside the internal activations of a language model in a purely unsupervised way. Specifically, we introduce a method for accurately answering yes-no questions given only unlabeled model activations. It works by finding a direction in activation space that satisfies logical consistency properties, such as that a statement and its negation have opposite truth values. We show that despite using no supervision and no model outputs, our method can recover diverse knowledge represented in large language models: across 6 models and 10 question-answering datasets, it outperforms zero-shot accuracy by 4\% on average. We also find that it cuts prompt sensitivity in half and continues to maintain high accuracy even when models are prompted to generate incorrect answers. Our results provide an initial step toward discovering what language models know, distinct from what they say, even when we don't have access to explicit ground truth labels.

Arslan Ali, Junjie Bai, Maciej Bala et al. · nvidia

We introduce [Cosmos-Predict2.5], the latest generation of the Cosmos World Foundation Models for Physical AI. Built on a flow-based architecture, [Cosmos-Predict2.5] unifies Text2World, Image2World, and Video2World generation in a single model and leverages [Cosmos-Reason1], a Physical AI vision-language model, to provide richer text grounding and finer control of world simulation. Trained on 200M curated video clips and refined with reinforcement learning-based post-training, [Cosmos-Predict2.5] achieves substantial improvements over [Cosmos-Predict1] in video quality and instruction alignment, with models released at 2B and 14B scales. These capabilities enable more reliable synthetic data generation, policy evaluation, and closed-loop simulation for robotics and autonomous systems. We further extend the family with [Cosmos-Transfer2.5], a control-net style framework for Sim2Real and Real2Real world translation. Despite being 3.5$\times$ smaller than [Cosmos-Transfer1], it delivers higher fidelity and robust long-horizon video generation. Together, these advances establish [Cosmos-Predict2.5] and [Cosmos-Transfer2.5] as versatile tools for scaling embodied intelligence. To accelerate research and deployment in Physical AI, we release source code, pretrained checkpoints, and curated benchmarks under the NVIDIA Open Model License at https://github.com/nvidia-cosmos/cosmos-predict2.5 and https://github.com/nvidia-cosmos/cosmos-transfer2.5. We hope these open resources lower the barrier to adoption and foster innovation in building the next generation of embodied intelligence.

Junxia Cui, Haotian Ye, Runchu Tian et al.

Diffusion large language models (dLLMs) have recently emerged as a promising alternative to autoregressive (AR) LLMs, offering faster inference through parallel or blockwise decoding. However, their masked language modeling formulation remains incompatible with standard token-level speculative decoding, one of the most effective acceleration techniques for AR models. In AR decoding, the causal mask preserves temporally valid token-level contexts, enabling a target model to verify multiple drafted tokens in a single forward pass. In contrast, dLLMs rely on mask tokens and bidirectional attention, causing the effective context to change across denoising steps and preventing direct token-level speculative verification. To bridge this gap, we propose a simple but effective speculative decoding algorithm for diffusion language models, named SimSD, which mainly adopts a plug-and-play masking strategy that equips dLLMs with temporally valid token-level contexts for speculative decoding. Our method explicitly introduces reference tokens from draft-model predictions and designs an attention mask that regulates their interaction with current-step tokens, allowing dLLMs to compute valid logits for drafted tokens in a single forward pass. This restores the key verification ability provided by causal masking in AR models while preserving the parallel decoding advantages of dLLMs. The proposed method is training-free and can be flexibly integrated with other acceleration techniques such as KV cache and blockwise decoding. Experiments on SDAR-family dLLMs across four benchmarks show that our method achieves up to 7.46x higher decoding throughput while maintaining and even improving average generation quality.

Haotian Ye, Haowei Lin, Jiaqi Han et al. · pku

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

Haotian Ye, James Zou, Linjun Zhang

The existence of spurious correlations such as image backgrounds in the training environment can make empirical risk minimization (ERM) perform badly in the test environment. To address this problem, Kirichenko et al. (2022) empirically found that the core features that are related to the outcome can still be learned well even with the presence of spurious correlations. This opens a promising strategy to first train a feature learner rather than a classifier, and then perform linear probing (last layer retraining) in the test environment. However, a theoretical understanding of when and why this approach works is lacking. In this paper, we find that core features are only learned well when their associated non-realizable noise is smaller than that of spurious features, which is not necessarily true in practice. We provide both theories and experiments to support this finding and to illustrate the importance of non-realizable noise. Moreover, we propose an algorithm called Freeze then Train (FTT), that first freezes certain salient features and then trains the rest of the features using ERM. We theoretically show that FTT preserves features that are more beneficial to test time probing. Across two commonly used spurious correlation datasets, FTT outperforms ERM, IRM, JTT and CVaR-DRO, with substantial improvement in accuracy (by 4.5%) when the feature noise is large. FTT also performs better on general distribution shift benchmarks.

Yihong Liu, Mingyang Wang, Amir Hossein Kargaran et al.

Recent studies have shown that post-aligning multilingual pretrained language models (mPLMs) using alignment objectives on both original and transliterated data can improve crosslingual alignment. This improvement further leads to better crosslingual transfer performance. However, it remains unclear how and why a better crosslingual alignment is achieved, as this technique only involves transliterations, and does not use any parallel data. This paper attempts to explicitly evaluate the crosslingual alignment and identify the key elements in transliteration-based approaches that contribute to better performance. For this, we train multiple models under varying setups for two pairs of related languages: (1) Polish and Ukrainian and (2) Hindi and Urdu. To assess alignment, we define four types of similarities based on sentence representations. Our experimental results show that adding transliterations alone improves the overall similarities, even for random sentence pairs. With the help of auxiliary transliteration-based alignment objectives, especially the contrastive objective, the model learns to distinguish matched from random pairs, leading to better crosslingual alignment. However, we also show that better alignment does not always yield better downstream performance, suggesting that further research is needed to clarify the connection between alignment and performance. The code implementation is based on \url{https://github.com/cisnlp/Transliteration-PPA}.

Sheng Liu, Haotian Ye, Lei Xing et al.

Large language models (LLMs) demonstrate emergent in-context learning capabilities, where they adapt to new tasks based on example demonstrations. However, in-context learning has seen limited effectiveness in many settings, is difficult to quantitatively control and takes up context window space. To overcome these limitations, we propose an alternative approach that recasts in-context learning as in-context vectors (ICV). Using ICV has two steps. We first use a forward pass on demonstration examples to create the in-context vector from the latent embedding of the LLM. This vector captures essential information about the intended task. On a new query, instead of adding demonstrations to the prompt, we shift the latent states of the LLM using the ICV. The ICV approach has several benefits: 1) it enables the LLM to more effectively follow the demonstration examples; 2) it's easy to control by adjusting the magnitude of the ICV; 3) it reduces the length of the prompt by removing the in-context demonstrations; 4) ICV is computationally much more efficient than fine-tuning. We demonstrate that ICV achieves better performance compared to standard in-context learning and fine-tuning on diverse tasks including safety, style transfer, role-playing and formatting. Moreover, we show that we can flexibly teach LLM to simultaneously follow different types of instructions by simple vector arithmetics on the corresponding ICVs.

Yihong Liu, Haotian Ye, Chunlan Ma et al.

Recent multilingual pretrained language models (mPLMs) often avoid using language embeddings -- learnable vectors assigned to individual languages. However, this places a significant burden on token representations to encode all language-specific information, which may hinder language neutrality. To address this limitation, we propose Language-Script Aware Multilingual Pretraining (LangSAMP), a method that incorporates both language and script embeddings to enhance representation learning. Specifically, we integrate these embeddings into the output of the Transformer blocks before passing the final representations to the language modeling head for prediction. We apply LangSAMP to the continual pretraining of XLM-R on a highly multilingual corpus covering more than 500 languages. The resulting model consistently outperforms the baseline in zero-shot crosslingual transfer across diverse downstream tasks. Extensive analysis reveals that language and script embeddings capture language- and script-specific nuances, which benefits more language-neutral representations, proven by improved pairwise cosine similarity. In our case study, we also show that language and script embeddings can be used to select better source languages for crosslingual transfer. We make our code and models publicly available at https://github.com/cisnlp/LangSAMP.

Chunlan Ma, Yihong Liu, Haotian Ye et al.

Decoder-only large language models (LLMs) excel in high-resource languages across various tasks through few-shot or even zero-shot in-context learning (ICL). However, their performance often does not transfer well to low-resource languages, especially those written in non-Latin scripts. Inspired by recent work that leverages transliteration in encoder-only models, we investigate whether transliteration is also effective in improving LLMs' performance for low-resource languages written in non-Latin scripts. To this end, we propose three prompt templates, where the target-language text is represented in (1) its original script, (2) Latin script, or (3) both. We apply these methods to several representative LLMs of different sizes on various tasks including text classification and sequential labeling. Our findings show that the effectiveness of transliteration varies by task type and model size. For instance, all models benefit from transliterations for sequential labeling (with increases of up to 25%).

Ruichen Li, Haotian Ye, Du Jiang et al.

Neural network-based variational Monte Carlo (NN-VMC) has emerged as a promising cutting-edge technique of ab initio quantum chemistry. However, the high computational cost of existing approaches hinders their applications in realistic chemistry problems. Here, we report the development of a new NN-VMC method that achieves a remarkable speed-up by more than one order of magnitude, thereby greatly extending the applicability of NN-VMC to larger systems. Our key design is a novel computational framework named Forward Laplacian, which computes the Laplacian associated with neural networks, the bottleneck of NN-VMC, through an efficient forward propagation process. We then demonstrate that Forward Laplacian is not only versatile but also facilitates more developments of acceleration methods across various aspects, including optimization for sparse derivative matrix and efficient neural network design. Empirically, our approach enables NN-VMC to investigate a broader range of atoms, molecules and chemical reactions for the first time, providing valuable references to other ab initio methods. The results demonstrate a great potential in applying deep learning methods to solve general quantum mechanical problems.

Haotian Ye, Xiaoyu Chen, Liwei Wang et al.

Generalization in Reinforcement Learning (RL) aims to learn an agent during training that generalizes to the target environment. This paper studies RL generalization from a theoretical aspect: how much can we expect pre-training over training environments to be helpful? When the interaction with the target environment is not allowed, we certify that the best we can obtain is a near-optimal policy in an average sense, and we design an algorithm that achieves this goal. Furthermore, when the agent is allowed to interact with the target environment, we give a surprising result showing that asymptotically, the improvement from pre-training is at most a constant factor. On the other hand, in the non-asymptotic regime, we design an efficient algorithm and prove a distribution-based regret bound in the target environment that is independent of the state-action space.

Zhongkai Yu, Yichen Lin, Chenyang Zhou et al.

Existing API-based agentic systems for RTL code generation are fundamentally misaligned with industrial practice: they assume a golden testbench is available at generation time, rely on closed-source APIs incompatible with chip vendors' air-gapped security requirements, and cannot be trained on vendors' proprietary RTL codebases, leaving valuable internal data unused. Recent self-trained models address the deployment constraint but remain single-turn generators that overlook the critical role of verification in real industrial flows. To bridge these gaps, we present ChipMATE, the first self-trained multi-agent framework for RTL generation. Inspired by industrial practice where correctness emerges from cross-comparison between independently written RTL modules and reference models, ChipMATE pairs a Verilog agent with a Python reference-model agent that mutually verify each other's outputs without any golden oracle. We design a backtrack-based inference workflow to prevent error propagation across turns, and a two-stage training pipeline that first trains each agent individually to saturate its code-generation capability, then trains the team jointly to collaborate effectively. To support the training, we further build a hybrid data-generation framework that produces 64.4K high-quality reference model training samples. ChipMATE achieves 75.0\% and 80.1\% pass@1 on VerilogEval V2 with 4B and 9B base models, outperforming all existing self-trained models and even DeepSeek V4 with 1600B parameters. Our code and model weights are publicly available in https://github.com/zhongkaiyu/ChipMATE.

Haotian Ye, Kaiwen Zheng, Jiashu Xu et al. · gatech

Aligning generative diffusion models with human preferences via reinforcement learning (RL) is critical yet challenging. Most existing algorithms are often vulnerable to reward hacking, such as quality degradation, over-stylization, or reduced diversity. Our analysis demonstrates that this can be attributed to the inherent limitations of their regularization, which provides unreliable penalties. We introduce Data-regularized Diffusion Reinforcement Learning (DDRL), a novel framework that uses the forward KL divergence to anchor the policy to an off-policy data distribution. Theoretically, DDRL enables robust, unbiased integration of RL with standard diffusion training. Empirically, this translates into a simple yet effective algorithm that combines reward maximization with diffusion loss minimization. With over a million GPU hours of experiments and ten thousand double-blind human evaluations, we demonstrate on high-resolution video generation tasks that DDRL significantly improves rewards while alleviating the reward hacking seen in baselines, achieving the highest human preference and establishing a robust and scalable paradigm for diffusion post-training.

Zhongkai Yu, Chenyang Zhou, Yichen Lin et al.

While Large Language Models (LLMs) show significant potential in hardware engineering, current benchmarks suffer from saturation and limited task diversity, failing to reflect LLMs' performance in real industrial workflows. To address this gap, we propose a comprehensive benchmark for AI-aided chip design that rigorously evaluates LLMs across three critical tasks: Verilog generation, debugging, and reference model generation. Our benchmark features 44 realistic modules with complex hierarchical structures, 89 systematic debugging cases, and 132 reference model samples across Python, SystemC, and CXXRTL. Evaluation results reveal substantial performance gaps, with state-of-the-art Claude-4.5-opus achieving only 30.74\% on Verilog generation and 13.33\% on Python reference model generation, demonstrating significant challenges compared to existing saturated benchmarks where SOTA models achieve over 95\% pass rates. Additionally, to help enhance LLM reference model generation, we provide an automated toolbox for high-quality training data generation, facilitating future research in this underexplored domain. Our code is available at https://github.com/zhongkaiyu/ChipBench.git.

Haotian Ye, Qiyuan He, Jiaqi Han et al.

Accurate and efficient discrete video tokenization is essential for long video sequences processing. Yet, the inherent complexity and variable information density of videos present a significant bottleneck for current tokenizers, which rigidly compress all content at a fixed rate, leading to redundancy or information loss. Drawing inspiration from Shannon's information theory, this paper introduces InfoTok, a principled framework for adaptive video tokenization. We rigorously prove that existing data-agnostic training methods are suboptimal in representation length, and present a novel evidence lower bound (ELBO)-based algorithm that approaches theoretical optimality. Leveraging this framework, we develop a transformer-based adaptive compressor that enables adaptive tokenization. Empirical results demonstrate state-of-the-art compression performance, saving 20% tokens without influence on performance, and achieving 2.3x compression rates while still outperforming prior heuristic adaptive approaches. By allocating tokens according to informational richness, InfoTok enables a more compressed yet accurate tokenization for video representation, offering valuable insights for future research.

Jiaqi Han, Juntong Shi, Puheng Li et al.

Diffusion models have become the dominant tool for high-fidelity image and video generation, yet are critically bottlenecked by their inference speed due to the numerous iterative passes of Diffusion Transformers. To reduce the exhaustive compute, recent works resort to the feature caching and reusing scheme that skips network evaluations at selected diffusion steps by using cached features in previous steps. However, their preliminary design solely relies on local approximation, causing errors to grow rapidly with large skips and leading to degraded sample quality at high speedups. In this work, we propose spectral diffusion feature forecaster (Spectrum), a training-free approach that enables global, long-range feature reuse with tightly controlled error. In particular, we view the latent features of the denoiser as functions over time and approximate them with Chebyshev polynomials. Specifically, we fit the coefficient for each basis via ridge regression, which is then leveraged to forecast features at multiple future diffusion steps. We theoretically reveal that our approach admits more favorable long-horizon behavior and yields an error bound that does not compound with the step size. Extensive experiments on various state-of-the-art image and video diffusion models consistently verify the superiority of our approach. Notably, we achieve up to 4.79$\times$ speedup on FLUX.1 and 4.67$\times$ speedup on Wan2.1-14B, while maintaining much higher sample quality compared with the baselines.

Yihong Liu, Chunlan Ma, Haotian Ye et al.

Transliterating related languages that use different scripts into a common script is effective for improving crosslingual transfer in downstream tasks. However, this methodology often makes pretraining a model from scratch unavoidable, as transliteration brings about new subwords not covered in existing multilingual pretrained language models (mPLMs). This is undesirable because it requires a large computation budget. A more promising way is to make full use of available mPLMs. To this end, this paper proposes a simple but effective framework: Transliterate-Merge-Initialize (TransMI). TransMI can create strong baselines for data that is transliterated into a common script by exploiting an existing mPLM and its tokenizer without any training. TransMI has three stages: (a) transliterate the vocabulary of an mPLM into a common script; (b) merge the new vocabulary with the original vocabulary; and (c) initialize the embeddings of the new subwords. We apply TransMI to three strong recent mPLMs. Our experiments demonstrate that TransMI not only preserves the mPLM's ability to handle non-transliterated data, but also enables it to effectively process transliterated data, thereby facilitating crosslingual transfer across scripts. The results show consistent improvements of 3% to 34% for different mPLMs and tasks. We make our code and models publicly available at \url{https://github.com/cisnlp/TransMI}.

Yihong Liu, Chunlan Ma, Haotian Ye et al.

The world's more than 7000 languages are written in at least 293 scripts. Due to various reasons, many closely related languages use different scripts, which poses a difficulty for multilingual pretrained language models (mPLMs) in learning crosslingual knowledge through lexical overlap. As a consequence, mPLMs are faced with a script barrier: representations from different scripts are located in different subspaces, which can result in crosslingual transfer involving languages of different scripts performing suboptimally. To address this problem, we propose TransliCo, a framework that optimizes the Transliteration Contrastive Modeling (TCM) objective to fine-tune an mPLM by contrasting sentences in its training data and their transliterations in a unified script (in our case Latin), which enhances uniformity in the representation space for different scripts. Using Glot500-m, an mPLM pretrained on over 500 languages, as our source model, we fine-tune it on a small portion (5%) of its training data, and refer to the resulting model as Furina. We show that Furina not only better aligns representations from distinct scripts but also outperforms the original Glot500-m on various zero-shot crosslingual transfer tasks. Additionally, we achieve consistent improvement in a case study on the Indic group where the languages exhibit areal features but use different scripts. We make our code and models publicly available.

Weixin Liang, Zachary Izzo, Yaohui Zhang et al. · berkeley, stanford

We present an approach for estimating the fraction of text in a large corpus which is likely to be substantially modified or produced by a large language model (LLM). Our maximum likelihood model leverages expert-written and AI-generated reference texts to accurately and efficiently examine real-world LLM-use at the corpus level. We apply this approach to a case study of scientific peer review in AI conferences that took place after the release of ChatGPT: ICLR 2024, NeurIPS 2023, CoRL 2023 and EMNLP 2023. Our results suggest that between 6.5% and 16.9% of text submitted as peer reviews to these conferences could have been substantially modified by LLMs, i.e. beyond spell-checking or minor writing updates. The circumstances in which generated text occurs offer insight into user behavior: the estimated fraction of LLM-generated text is higher in reviews which report lower confidence, were submitted close to the deadline, and from reviewers who are less likely to respond to author rebuttals. We also observe corpus-level trends in generated text which may be too subtle to detect at the individual level, and discuss the implications of such trends on peer review. We call for future interdisciplinary work to examine how LLM use is changing our information and knowledge practices.

Sheng Liu, Haotian Ye, Lei Xing et al.

Hallucination poses a challenge to the deployment of large vision-language models (LVLMs) in applications. Unlike in large language models (LLMs), hallucination in LVLMs often arises from misalignments between visual inputs and textual outputs. This paper investigates the underlying mechanisms of hallucination, focusing on the unique structure of LVLMs that distinguishes them from large language models (LLMs). We identify that hallucinations often arise from the sensitivity of text decoders to vision inputs, a natural phenomenon when image encoders and text decoders are pre-trained separately. Inspired by this, we introduce Visual and Textual Intervention (VTI), a novel technique designed to reduce hallucinations by steering latent space representations during inference to enhance the stability of vision features. As a task-agnostic test-time intervention, VTI can be easily applied to any problem without additional cost. Extensive experiments demonstrate that it can effectively reduce hallucinations and outperform baseline methods across multiple metrics, highlighting the critical role of vision feature stability in LVLMs.

Haowei Lin, Baizhou Huang, Haotian Ye et al. · pku

The ever-growing ecosystem of LLMs has posed a challenge in selecting the most appropriate pre-trained model to fine-tune amidst a sea of options. Given constrained resources, fine-tuning all models and making selections afterward is unrealistic. In this work, we formulate this resource-constrained selection task into predicting fine-tuning performance and illustrate its natural connection with Scaling Law. Unlike pre-training, we find that the fine-tuning scaling curve includes not just the well-known "power phase" but also the previously unobserved "pre-power phase". We also explain why existing Scaling Law fails to capture this phase transition phenomenon both theoretically and empirically. To address this, we introduce the concept of "pre-learned data size" into our Rectified Scaling Law, which overcomes theoretical limitations and fits experimental results much better. By leveraging our law, we propose a novel LLM selection algorithm that selects the near-optimal model with hundreds of times less resource consumption, while other methods may provide negatively correlated selection. The project page is available at rectified-scaling-law.github.io.

Haotian Ye, Haowei Lin, Jingyi Tang et al.

Language models are increasingly used in scientific discovery to generate hypotheses, propose candidate solutions, implement systems, and iteratively refine them. At the core of these trial-and-error loops lies evaluation: the process of obtaining feedback on candidate solutions via verifiers, simulators, or task-specific scoring functions. While prior work has highlighted the importance of evaluation, it has not explicitly formulated the problem of how evaluation-driven discovery loops can be scaled up in a principled and effective manner to push the boundaries of scientific discovery, a problem this paper seeks to address. We introduce Simple Test-time Evaluation-driven Scaling (SimpleTES), a general framework that strategically combines parallel exploration, feedback-driven refinement, and local selection, revealing substantial gains unlocked by scaling evaluation-driven discovery loops along the right dimensions. Across 21 scientific problems spanning six domains, SimpleTES discovers state-of-the-art solutions using gpt-oss models, consistently outperforming both frontier-model baselines and sophisticated optimization pipelines. Particularly, we sped up the widely used LASSO algorithm by over 2x, designed quantum circuit routing policies that reduce gate overhead by 24.5%, and discovered new Erdos minimum overlap constructions that surpass the best-known results. Beyond novel discoveries, SimpleTES produces trajectory-level histories that naturally supervise feedback-driven learning. When post-trained on successful trajectories, models not only improve efficiency on seen problems but also generalize to unseen problems, discovering solutions that base models fail to uncover. Together, our results establish effective evaluation-driven loop scaling as a central axis for advancing LLM-driven scientific discovery, and provide a simple yet practical framework for realizing these gains.

Zhongkai Yu, Haotian Ye, Chenyang Zhou et al.

All current LLM serving systems place the GPU at the center, from production-level attention-FFN disaggregation to NVIDIA's Rubin GPU-LPU heterogeneous platform. Even academic PIM/PNM proposals still treat the GPU as the central hub for cross-device communication. Yet the GPU's compute-rich architecture is fundamentally mismatched with the memory-bound nature of decode-phase attention, inflating serving latency while wasting power and die area on idle compute units. The problem is compounded as reasoning and agentic workloads push context lengths toward one million tokens, making attention latency the primary user-facing bottleneck. To address these inefficiencies, we present AMMA, a multi-chiplet, memory-centric architecture for low-latency long-context attention. AMMA replaces GPU compute dies with HBM-PNM cubes, roughly doubling the available memory bandwidth to better serve memory-bound attention workloads. To translate this bandwidth into proportional performance gains, we introduce (i) a logic-die microarchitecture that fully exploits per-cube internal bandwidth for decode attention under a minimal power and area budget, (ii) a two-level hybrid parallelism scheme, and (iii) a reordered collective flow that reduces intra-chip die-to-die communication overhead. We further conduct a design-space exploration over per-cube compute power and intra-chip D2D link bandwidth, providing actionable guidance for hardware designers. Evaluations show that AMMA achieves 15.5X lower attention latency and 6.9X lower energy consumption compared with the NVIDIA H100.

Xiangcheng Zhang, Haowei Lin, Haotian Ye et al.

Classical search algorithms have long underpinned modern artificial intelligence. In this work, we tackle the challenge of inference-time control in diffusion models -- adapting generated outputs to meet diverse test-time objectives -- using principles from classical search. We propose a general framework that orchestrates local and global search to efficiently navigate the generative space. It employs a theoretically grounded local search via annealed Langevin MCMC and performs compute-efficient global exploration using breadth-first and depth-first tree search. We evaluate our approach on a range of challenging domains, including planning, offline reinforcement learning, and image generation. Across all tasks, we observe significant gains in both performance and efficiency. These results show that classical search provides a principled and practical foundation for inference-time scaling in diffusion models. Project page at https://diffusion-inference-scaling.github.io/.

Huayu Chen, Kaiwen Zheng, Qinsheng Zhang et al.

Reinforcement Learning (RL) has played a central role in the recent surge of LLMs' math abilities by enabling self-improvement through binary verifier signals. In contrast, Supervised Learning (SL) is rarely considered for such verification-driven training, largely due to its heavy reliance on reference answers and inability to reflect on mistakes. In this work, we challenge the prevailing notion that self-improvement is exclusive to RL and propose Negative-aware Fine-Tuning (NFT) -- a supervised approach that enables LLMs to reflect on their failures and improve autonomously with no external teachers. In online training, instead of throwing away self-generated negative answers, NFT constructs an implicit negative policy to model them. This implicit policy is parameterized with the same positive LLM we target to optimize on positive data, enabling direct policy optimization on all LLMs' generations. We conduct experiments on 7B and 32B models in math reasoning tasks. Results consistently show that through the additional leverage of negative feedback, NFT significantly improves over SL baselines like Rejection sampling Fine-Tuning, matching or even surpassing leading RL algorithms like GRPO and DAPO. Furthermore, we demonstrate that NFT and GRPO are actually equivalent in strict-on-policy training, even though they originate from entirely different theoretical foundations. Our experiments and theoretical findings bridge the gap between SL and RL methods in binary-feedback learning systems.

Jiaqi Han, Minkai Xu, Aaron Lou et al.

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

Fan Nie, Lan Feng, Haotian Ye et al. · stanford

Efficiently leveraging of the capabilities of contemporary large language models (LLMs) is increasingly challenging, particularly when direct fine-tuning is expensive and often impractical. Existing training-free methods, including manually or automated designed workflows, typically demand substantial human effort or yield suboptimal results. This paper proposes Weak-for-Strong Harnessing (W4S), a novel framework that customizes smaller, cost-efficient language models to design and optimize workflows for harnessing stronger models. W4S formulates workflow design as a multi-turn markov decision process and introduces reinforcement learning for agentic workflow optimization (RLAO) to train a weak meta-agent. Through iterative interaction with the environment, the meta-agent learns to design increasingly effective workflows without manual intervention. Empirical results demonstrate the superiority of W4S that our 7B meta-agent, trained with just one GPU hour, outperforms the strongest baseline by 2.9% ~ 24.6% across eleven benchmarks, successfully elevating the performance of state-of-the-art models such as GPT-3.5-Turbo and GPT-4o. Notably, W4S exhibits strong generalization capabilities across both seen and unseen tasks, offering an efficient, high-performing alternative to directly fine-tuning strong models.

Sheng Liu, Tianlang Chen, Pan Lu et al.

Test-time compute has emerged as a powerful paradigm for improving the performance of large language models (LLMs), where generating multiple outputs or refining individual chains can significantly boost answer accuracy. However, existing methods like Best-of-N, majority voting, and self-reflection typically apply reasoning in a uniform way across inputs, overlooking the fact that different problems may require different levels of reasoning depth. In this work, we propose Fractional Reasoning, a training-free and model-agnostic framework that enables continuous control over reasoning intensity at inference time, going beyond the limitations of fixed instructional prompts. Our method operates by extracting the latent steering vector associated with deeper reasoning and reapplying it with a tunable scaling factor, allowing the model to tailor its reasoning process to the complexity of each input. This supports two key modes of test-time scaling: (1) improving output quality in breadth-based strategies (e.g., Best-of-N, majority voting), and (2) enhancing the correctness of individual reasoning chains in depth-based strategies (e.g., self-reflection). Experiments on GSM8K, MATH500, and GPQA demonstrate that Fractional Reasoning consistently improves performance across diverse reasoning tasks and models.

Peiqin Lin, Chenyang Lyu, Wenjiang Luo et al.

Large language models (LLMs) are now deployed worldwide, inspiring a surge of benchmarks that measure their multilingual and multicultural abilities. However, these benchmarks prioritize generic language understanding or superficial cultural trivia, leaving the evaluation of grounded tasks -- where models must reason within real-world, context-rich scenarios -- largely unaddressed. To fill this gap, we present CulturALL, a comprehensive and challenging benchmark to assess LLMs' multilingual and multicultural competence on grounded tasks. CulturALL is built via a human--AI collaborative framework: expert annotators ensure appropriate difficulty and factual accuracy, while LLMs lighten the manual workload. By incorporating diverse sources, CulturALL ensures comprehensive scenario coverage. Each item is carefully designed to present a high level of difficulty, making CulturALL challenging. CulturALL contains 2,610 samples in 14 languages from 51 regions, distributed across 16 topics to capture the full breadth of grounded tasks. Experiments show that the best LLM achieves 44.48% accuracy on CulturALL, underscoring substantial room for improvement.

Ruichen Li, Chuwei Wang, Haotian Ye et al.

Solving partial differential equations (PDEs) efficiently is essential for analyzing complex physical systems. Recent advancements in leveraging deep learning for solving PDE have shown significant promise. However, machine learning methods, such as Physics-Informed Neural Networks (PINN), face challenges in handling high-order derivatives of neural network-parameterized functions. Inspired by Forward Laplacian, a recent method of accelerating Laplacian computation, we propose an efficient computational framework, Differential Operator with Forward-propagation (DOF), for calculating general second-order differential operators without losing any precision. We provide rigorous proof of the advantages of our method over existing methods, demonstrating two times improvement in efficiency and reduced memory consumption on any architectures. Empirical results illustrate that our method surpasses traditional automatic differentiation (AutoDiff) techniques, achieving 2x improvement on the MLP structure and nearly 20x improvement on the MLP with Jacobian sparsity.

Kaiwen Zheng, Huayu Chen, Haotian Ye et al.

Online reinforcement learning (RL) has been central to post-training language models, but its extension to diffusion models remains challenging due to intractable likelihoods. Recent works discretize the reverse sampling process to enable GRPO-style training, yet they inherit fundamental drawbacks, including solver restrictions, forward-reverse inconsistency, and complicated integration with classifier-free guidance (CFG). We introduce Diffusion Negative-aware FineTuning (DiffusionNFT), a new online RL paradigm that optimizes diffusion models directly on the forward process via flow matching. DiffusionNFT contrasts positive and negative generations to define an implicit policy improvement direction, naturally incorporating reinforcement signals into the supervised learning objective. This formulation enables training with arbitrary black-box solvers, eliminates the need for likelihood estimation, and requires only clean images rather than sampling trajectories for policy optimization. DiffusionNFT is up to $25\times$ more efficient than FlowGRPO in head-to-head comparisons, while being CFG-free. For instance, DiffusionNFT improves the GenEval score from 0.24 to 0.98 within 1k steps, while FlowGRPO achieves 0.95 with over 5k steps and additional CFG employment. By leveraging multiple reward models, DiffusionNFT significantly boosts the performance of SD3.5-Medium in every benchmark tested.

Linyang He, Ercong Nie, Sukru Samet Dindar et al.

We introduce XCOMPS in this work, a multilingual conceptual minimal pair dataset covering 17 languages. Using this dataset, we evaluate LLMs' multilingual conceptual understanding through metalinguistic prompting, direct probability measurement, and neurolinguistic probing. By comparing base, instruction-tuned, and knowledge-distilled models, we find that: 1) LLMs exhibit weaker conceptual understanding for low-resource languages, and accuracy varies across languages despite being tested on the same concept sets. 2) LLMs excel at distinguishing concept-property pairs that are visibly different but exhibit a marked performance drop when negative pairs share subtle semantic similarities. 3) Instruction tuning improves performance in concept understanding but does not enhance internal competence; knowledge distillation can enhance internal competence in conceptual understanding for low-resource languages with limited gains in explicit task performance. 4) More morphologically complex languages yield lower concept understanding scores and require deeper layers for conceptual reasoning.

Yuzheng Hu, Fan Wu, Haotian Ye et al.

Online reinforcement learning (RL) excels in complex, safety-critical domains but suffers from sample inefficiency, training instability, and limited interpretability. Data attribution provides a principled way to trace model behavior back to training samples, yet existing methods assume fixed datasets, which is violated in online RL where each experience both updates the policy and shapes future data collection. In this paper, we initiate the study of data attribution for online RL, focusing on the widely used Proximal Policy Optimization (PPO) algorithm. We start by establishing a \emph{local} attribution framework, interpreting model checkpoints with respect to the records in the recent training buffer. We design two target functions, capturing agent action and cumulative return respectively, and measure each record's contribution through gradient similarity between its training loss and these targets. We demonstrate the power of this framework through three concrete applications: diagnosis of learning, temporal analysis of behavior formation, and targeted intervention during training. Leveraging this framework, we further propose an algorithm, iterative influence-based filtering (IIF), for online RL training that iteratively performs experience filtering to refine policy updates. Across standard RL benchmarks (classic control, navigation, locomotion) to RLHF for large language models, IIF reduces sample complexity, speeds up training, and achieves higher returns. Together, these results open a new direction for making online RL more interpretable, efficient, and effective.

Haowei Lin, Xiangyu Wang, Ruilin Yan et al. · pku

With powerful large language models (LLMs) demonstrating superhuman reasoning capabilities, a critical question arises: Do LLMs genuinely reason, or do they merely recall answers from their extensive, web-scraped training datasets? Publicly released benchmarks inevitably become contaminated once incorporated into subsequent LLM training sets, undermining their reliability as faithful assessments. To address this, we introduce KUMO, a generative evaluation framework designed specifically for assessing reasoning in LLMs. KUMO synergistically combines LLMs with symbolic engines to dynamically produce diverse, multi-turn reasoning tasks that are partially observable and adjustable in difficulty. Through an automated pipeline, KUMO continuously generates novel tasks across open-ended domains, compelling models to demonstrate genuine generalization rather than memorization. We evaluated 23 state-of-the-art LLMs on 5,000 tasks across 100 domains created by KUMO, benchmarking their reasoning abilities against university students. Our findings reveal that many LLMs have outperformed university-level performance on easy reasoning tasks, and reasoning-scaled LLMs reach university-level performance on complex reasoning challenges. Moreover, LLM performance on KUMO tasks correlates strongly with results on newly released real-world reasoning benchmarks, underscoring KUMO's value as a robust, enduring assessment tool for genuine LLM reasoning capabilities.

Haowei Lin, Shanda Li, Haotian Ye et al.

Given an unconditional generative model and a predictor for a target property (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. As a highly efficient technique for steering generative models toward flexible outcomes, training-free guidance has gained increasing attention in diffusion models. However, existing methods only handle data in continuous spaces, while many scientific applications involve both continuous and discrete data (referred to as multimodality). Another emerging trend is the growing use of the simple and general flow matching framework in building generative foundation models, where guided generation remains under-explored. To address this, we introduce TFG-Flow, a novel training-free guidance method for multimodal generative flow. TFG-Flow addresses the curse-of-dimensionality while maintaining the property of unbiased sampling in guiding discrete variables. We validate TFG-Flow on four molecular design tasks and show that TFG-Flow has great potential in drug design by generating molecules with desired properties.

Haotian Ye, Axel Wisiorek, Antonis Maronikolakis et al.

Hate speech online remains an understudied issue for marginalized communities, particularly in the Global South, which includes developing societies with increasing internet penetration. In this paper, we aim to provide marginalized communities in societies where the dominant language is low-resource with a privacy-preserving tool to protect themselves from online hate speech by filtering offensive content in their native languages. Our contributions are twofold: 1) we release REACT (REsponsive hate speech datasets Across ConTexts), a collection of high-quality, culture-specific hate speech detection datasets comprising multiple target groups and low-resource languages, curated by experienced data collectors; 2) we propose a few-shot hate speech detection approach based on federated learning (FL), a privacy-preserving method for collaboratively training a central model that exhibits robustness when tackling different target groups and languages. By keeping training local to user devices, we ensure data privacy while leveraging the collective learning benefits of FL. Furthermore, we explore personalized client models tailored to specific target groups and evaluate their performance. Our findings indicate the overall effectiveness of FL across different target groups, and point to personalization as a promising direction.

Haotian Ye, Yihong Liu, Chunlan Ma et al.

Transformer-based pre-trained language models (PLMs) have achieved remarkable performance in various natural language processing (NLP) tasks. However, pre-training such models can take considerable resources that are almost only available to high-resource languages. On the contrary, static word embeddings are easier to train in terms of computing resources and the amount of data required. In this paper, we introduce MoSECroT Model Stitching with Static Word Embeddings for Crosslingual Zero-shot Transfer), a novel and challenging task that is especially relevant to low-resource languages for which static word embeddings are available. To tackle the task, we present the first framework that leverages relative representations to construct a common space for the embeddings of a source language PLM and the static word embeddings of a target language. In this way, we can train the PLM on source-language training data and perform zero-shot transfer to the target language by simply swapping the embedding layer. However, through extensive experiments on two classification datasets, we show that although our proposed framework is competitive with weak baselines when addressing MoSECroT, it fails to achieve competitive results compared with some strong baselines. In this paper, we attempt to explain this negative result and provide several thoughts on possible improvement.

Haotian Ye, Himanshu Jain, Chong You et al.

In real-world applications of large language models, outputs are often required to be confined: selecting items from predefined product or document sets, generating phrases that comply with safety standards, or conforming to specialized formatting styles. To control the generation, constrained decoding has been widely adopted. However, existing prefix-tree-based constrained decoding is inefficient under GPU-based model inference paradigms, and it introduces unintended biases into the output distribution. This paper introduces Dynamic Importance Sampling for Constrained Decoding (DISC) with GPU-based Parallel Prefix-Verification (PPV), a novel algorithm that leverages dynamic importance sampling to achieve theoretically guaranteed asymptotic unbiasedness and overcomes the inefficiency of prefix-tree. Extensive experiments demonstrate the superiority of our method over existing methods in both efficiency and output quality. These results highlight the potential of our methods to improve constrained generation in applications where adherence to specific constraints is essential.

Qiyuan He, Yicong Li, Haotian Ye et al.

Visual autoregressive (AR) generation offers a promising path toward unifying vision and language models, yet its performance remains suboptimal against diffusion models. Prior work often attributes this gap to tokenizer limitations and rasterization ordering. In this work, we identify a core bottleneck from the perspective of generator-tokenizer inconsistency, i.e., the AR-generated tokens may not be well-decoded by the tokenizer. To address this, we propose reAR, a simple training strategy introducing a token-wise regularization objective: when predicting the next token, the causal transformer is also trained to recover the visual embedding of the current token and predict the embedding of the target token under a noisy context. It requires no changes to the tokenizer, generation order, inference pipeline, or external models. Despite its simplicity, reAR substantially improves performance. On ImageNet, it reduces gFID from 3.02 to 1.86 and improves IS to 316.9 using a standard rasterization-based tokenizer. When applied to advanced tokenizers, it achieves a gFID of 1.42 with only 177M parameters, matching the performance with larger state-of-the-art diffusion models (675M).

Haowei Lin, Haotian Ye, Wenzheng Feng et al.

Discovering scaling laws for predicting model performance at scale is a fundamental and open-ended challenge, mostly reliant on slow, case specific human experimentation. To investigate the potential for LLMs to automate this process, we collect over 5,000 experiments from existing literature and curate seven diverse scaling law discovery tasks. While existing agents struggle to produce accurate law formulas, this paper introduces SLDAgent, an evolution-based agent that co-optimize the scaling law model and the parameters, enabling it to autonomously explore complex relationships between variables. For the first time, we demonstrates that SLDAgent can automatically discover laws that exhibit consistently more accurate extrapolation than their established, human-derived counterparts across all tasks. Through comprehensive analysis, we elucidate why these discovered laws are superior and verify their practical utility in both pretraining and finetuning applications. This work establishes a new paradigm for agentic scientific discovery, showing that AI systems can understand their own scaling behavior, and can contribute novel and practical knowledge back to the research community.

Jiaqi Han, Haotian Ye, Puheng Li et al.

Diffusion-based generative models have become dominant generators of high-fidelity images and videos but remain limited by their computationally expensive inference procedures. Existing acceleration techniques either require extensive model retraining or compromise significantly on sample quality. This paper explores a general, training-free, and model-agnostic acceleration strategy via multi-core parallelism. Our framework views multi-core diffusion sampling as an ODE solver pipeline, where slower yet accurate solvers progressively rectify faster solvers through a theoretically justified inter-core communication mechanism. This motivates our multi-core training-free diffusion sampling accelerator, CHORDS, which is compatible with various diffusion samplers, model architectures, and modalities. Through extensive experiments, CHORDS significantly accelerates sampling across diverse large-scale image and video diffusion models, yielding up to 2.1x speedup with four cores, improving by 50% over baselines, and 2.9x speedup with eight cores, all without quality degradation. This advancement enables CHORDS to establish a solid foundation for real-time, high-fidelity diffusion generation.

Haojun Yu, Youcheng Li, Nan Zhang et al.

Foundational models have emerged as powerful tools for addressing various tasks in clinical settings. However, their potential development to breast ultrasound analysis remains untapped. In this paper, we present BUSGen, the first foundational generative model specifically designed for breast ultrasound image analysis. Pretrained on over 3.5 million breast ultrasound images, BUSGen has acquired extensive knowledge of breast structures, pathological features, and clinical variations. With few-shot adaptation, BUSGen can generate repositories of realistic and informative task-specific data, facilitating the development of models for a wide range of downstream tasks. Extensive experiments highlight BUSGen's exceptional adaptability, significantly exceeding real-data-trained foundational models in breast cancer screening, diagnosis, and prognosis. In breast cancer early diagnosis, our approach outperformed all board-certified radiologists (n=9), achieving an average sensitivity improvement of 16.5% (P-value<0.0001). Additionally, we characterized the scaling effect of using generated data which was as effective as the collected real-world data for training diagnostic models. Moreover, extensive experiments demonstrated that our approach improved the generalization ability of downstream models. Importantly, BUSGen protected patient privacy by enabling fully de-identified data sharing, making progress forward in secure medical data utilization. An online demo of BUSGen is available at https://aibus.bio.

Guhao Feng, Bohang Zhang, Yuntian Gu et al.

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the enormous empirical success, the underlying mechanisms behind CoT and how it unlocks the potential of LLMs remain elusive. In this paper, we take a first step towards theoretically answering these questions. Specifically, we examine the expressivity of LLMs with CoT in solving fundamental mathematical and decision-making problems. By using circuit complexity theory, we first give impossibility results showing that bounded-depth Transformers are unable to directly produce correct answers for basic arithmetic/equation tasks unless the model size grows super-polynomially with respect to the input length. In contrast, we then prove by construction that autoregressive Transformers of constant size suffice to solve both tasks by generating CoT derivations using a commonly used math language format. Moreover, we show LLMs with CoT can handle a general class of decision-making problems known as Dynamic Programming, thus justifying its power in tackling complex real-world tasks. Finally, an extensive set of experiments show that, while Transformers always fail to directly predict the answers, they can consistently learn to generate correct solutions step-by-step given sufficient CoT demonstrations.

Haotian Ye, Yihong Liu, Hinrich Schütze

An interesting line of research in natural language processing (NLP) aims to incorporate linguistic typology to bridge linguistic diversity and assist the research of low-resource languages. While most works construct linguistic similarity measures based on lexical or typological features, such as word order and verbal inflection, recent work has introduced a novel approach to defining language similarity based on how they represent basic concepts, which is complementary to existing similarity measures. In this work, we study the conceptual similarity in detail and evaluate it extensively on a binary classification task.

Yihong Liu, Haotian Ye, Leonie Weissweiler et al.

In comparative linguistics, colexification refers to the phenomenon of a lexical form conveying two or more distinct meanings. Existing work on colexification patterns relies on annotated word lists, limiting scalability and usefulness in NLP. In contrast, we identify colexification patterns of more than 2,000 concepts across 1,335 languages directly from an unannotated parallel corpus. We then propose simple and effective methods to build multilingual graphs from the colexification patterns: ColexNet and ColexNet+. ColexNet's nodes are concepts and its edges are colexifications. In ColexNet+, concept nodes are additionally linked through intermediate nodes, each representing an ngram in one of 1,334 languages. We use ColexNet+ to train $\overrightarrow{\mbox{ColexNet+}}$, high-quality multilingual embeddings that are well-suited for transfer learning. In our experiments, we first show that ColexNet achieves high recall on CLICS, a dataset of crosslingual colexifications. We then evaluate $\overrightarrow{\mbox{ColexNet+}}$ on roundtrip translation, sentence retrieval and sentence classification and show that our embeddings surpass several transfer learning baselines. This demonstrates the benefits of using colexification as a source of information in multilingual NLP.

Chunlan Ma, Ayyoob ImaniGooghari, Haotian Ye et al.

While natural language processing tools have been developed extensively for some of the world's languages, a significant portion of the world's over 7000 languages are still neglected. One reason for this is that evaluation datasets do not yet cover a wide range of languages, including low-resource and endangered ones. We aim to address this issue by creating a text classification dataset encompassing a large number of languages, many of which currently have little to no annotated data available. We leverage parallel translations of the Bible to construct such a dataset by first developing applicable topics and employing a crowdsourcing tool to collect annotated data. By annotating the English side of the data and projecting the labels onto other languages through aligned verses, we generate text classification datasets for more than 1500 languages. We extensively benchmark several existing multilingual language models using our dataset. To facilitate the advancement of research in this area, we will release our dataset and code.

Yihong Liu, Haotian Ye, Leonie Weissweiler et al.

Languages differ in how they divide up the world into concepts and words; e.g., in contrast to English, Swahili has a single concept for `belly' and `womb'. We investigate these differences in conceptualization across 1,335 languages by aligning concepts in a parallel corpus. To this end, we propose Conceptualizer, a method that creates a bipartite directed alignment graph between source language concepts and sets of target language strings. In a detailed linguistic analysis across all languages for one concept (`bird') and an evaluation on gold standard data for 32 Swadesh concepts, we show that Conceptualizer has good alignment accuracy. We demonstrate the potential of research on conceptualization in NLP with two experiments. (1) We define crosslingual stability of a concept as the degree to which it has 1-1 correspondences across languages, and show that concreteness predicts stability. (2) We represent each language by its conceptualization pattern for 83 concepts, and define a similarity measure on these representations. The resulting measure for the conceptual similarity of two languages is complementary to standard genealogical, typological, and surface similarity measures. For four out of six language families, we can assign languages to their correct family based on conceptual similarity with accuracy between 54% and 87%.

Haotian Ye, Chuanlong Xie, Tianle Cai et al.

Generalization to out-of-distribution (OOD) data is one of the central problems in modern machine learning. Recently, there is a surge of attempts to propose algorithms that mainly build upon the idea of extracting invariant features. Although intuitively reasonable, theoretical understanding of what kind of invariance can guarantee OOD generalization is still limited, and generalization to arbitrary out-of-distribution is clearly impossible. In this work, we take the first step towards rigorous and quantitative definitions of 1) what is OOD; and 2) what does it mean by saying an OOD problem is learnable. We also introduce a new concept of expansion function, which characterizes to what extent the variance is amplified in the test domains over the training domains, and therefore give a quantitative meaning of invariant features. Based on these, we prove OOD generalization error bounds. It turns out that OOD generalization largely depends on the expansion function. As recently pointed out by Gulrajani and Lopez-Paz (2020), any OOD learning algorithm without a model selection module is incomplete. Our theory naturally induces a model selection criterion. Extensive experiments on benchmark OOD datasets demonstrate that our model selection criterion has a significant advantage over baselines.

Haotian Ye, Chuanlong Xie, Yue Liu et al.

The mismatch between training and target data is one major challenge for current machine learning systems. When training data is collected from multiple domains and the target domains include all training domains and other new domains, we are facing an Out-of-Distribution (OOD) generalization problem that aims to find a model with the best OOD accuracy. One of the definitions of OOD accuracy is worst-domain accuracy. In general, the set of target domains is unknown, and the worst over target domains may be unseen when the number of observed domains is limited. In this paper, we show that the worst accuracy over the observed domains may dramatically fail to identify the OOD accuracy. To this end, we introduce Influence Function, a classical tool from robust statistics, into the OOD generalization problem and suggest the variance of influence function to monitor the stability of a model on training domains. We show that the accuracy on test domains and the proposed index together can help us discern whether OOD algorithms are needed and whether a model achieves good OOD generalization.

Chuanlong Xie, Haotian Ye, Fei Chen et al.

The key of the out-of-distribution (OOD) generalization is to generalize invariance from training domains to target domains. The variance risk extrapolation (V-REx) is a practical OOD method, which depends on a domain-level regularization but lacks theoretical verifications about its motivation and utility. This article provides theoretical insights into V-REx by studying a variance-based regularizer. We propose Risk Variance Penalization (RVP), which slightly changes the regularization of V-REx but addresses the theory concerns about V-REx. We provide theoretical explanations and a theory-inspired tuning scheme for the regularization parameter of RVP. Our results point out that RVP discovers a robust predictor. Finally, we experimentally show that the proposed regularizer can find an invariant predictor under certain conditions.