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Di He

Publications and source records attributed to Di He.

At least 19 recordsLinked to original sources
arXiv2026

Test-Time Scaling for Scientific Equation Discovery

Test-time scaling (TTS) improves language model reasoning by allocating additional test-time compute, but prior work mainly studies closed-ended tasks such as math and coding. We study TTS for automated equation discovery, an open-ended setting where models search over candidate equations and rely on observed datapoints for feedback. We formulate LLM-driven equation discovery as an iterative search process that unifies Best-of-N, sequential refinement, tree search, and evolution-style methods under a common compute-allocation view. To isolate allocation effects from prompt engineering and other heuristics, we compare minimal parallel controllers under fixed budgets. On LLM-SRBench equation-discovery tasks, we find that search width is the dominant allocation parameter: the best width in our sweep generally increases with the compute budget, while the population--branching split and controller choice matter less. Appropriate width selection also improves wall-clock efficiency by increasing parallelism. These results suggest that, given an informative verifier, controlling exploration and exploitation is central to scaling LLM-based equation discovery.

cs.CL↗
arXiv2026

Designing Reinforcement Learning for Diffusion Models: A Unified Path-Space View

Reinforcement learning (RL) post-training provides a direct way to align diffusion models with human preferences and task-specific rewards. However, current RL algorithms for diffusion models remain fragmented: reverse-trajectory methods rely on discretized likelihood ratios, whereas forward-matching methods train on reward-labeled noising versions of the rollout samples. This paper shows that these seemingly different losses arise from a single path-space principle. Starting from the regularized diffusion-RL objective, we use importance sampling between sampling SDEs to obtain an explicit policy-gradient estimator on trajectory space. The estimator contains the stochastic It\^o integral underlying Flow-GRPO-type updates; we derive an equivalent variance-reduced value-gradient form that recovers the forward-matching structure of AWM and DiffusionNFT. This identifies the empirical gap between these method families as a variance-reduction effect rather than a difference in RL principle. The derivation yields a unified design space organized by value-gradient estimation, weight functions, and sampling choices. Within this space, we propose a multi-sample KDE value-gradient estimator that reuses rollout groups, together with scale-bounded weight families that retain stable existing recipes while excluding singular ones. Experiments on SD3.5-M and Qwen-Image models validate the variance-reduction explanation and show that the resulting recipe improves over prior diffusion-RL baselines.

cs.LG↗
arXiv2026

AREX: Towards a Recursively Self-Improving Agent for Deep Research

Deep research requires agents to find answers that jointly satisfy multiple constraints. Discovering such answers is costly, whereas verifying a candidate can often be decomposed into tractable constraint-wise checks. This discovery--verification asymmetry suggests that a research agent should do more than simply search longer: it should recursively improve its current answer by verifying intermediate results and using the partially verified state to guide subsequent refinement. We introduce AREX, a family of Recursively Self-Improving (RSI) deep research agents. AREX alternates between an inner research loop that gathers evidence and constructs a provisional answer, and an outer self-improvement loop that audits the answer constraint-wise, identifies unresolved claims, and launches targeted follow-up research. To sustain RSI over long horizons, AREX learns an autonomous context-update tool that compresses growing interaction history into a compact improvement state preserving verified evidence and unresolved constraints, without relying on an external model. We train AREX on verified synthetic tasks and high-quality trajectories through agentic mid-training and long-horizon reinforcement learning. To mitigate sparse final rewards during long horizon learning, we emphasize key steps where decisive evidence is acquired or erroneous research directions are corrected. We instantiate a dense 4B model and a 122B-A10B Mixture-of-Experts model. Across BrowseComp, WideSearch, DeepSearchQA, Humanity's Last Exam (HLE), and other reasoning and tool-use benchmarks, AREX substantially outperforms comparable-scale baselines and remains competitive with models using substantially more activated parameters.

cs.AI↗
arXiv2026

Muse: Representation Geometry of Muon Beyond Normalized Momentum

Muon-style optimizers apply a polar map to matrix momentum, but their updates also depend on the representation of each parameter block before orthogonalization. We study this representation choice as a form of optimizer geometry and introduce {\method}, a family of Muon-style optimizers that shares the same momentum rule and Newton--Schulz backend across native, nearest-square, skinny, and vector representations. Each Frobenius-isometric representation induces a distinct polar steepest-descent geometry, in which the shorter matrix dimension determines the number of supported singular channels, the pullback scaling, and the constants in stochastic nonconvex convergence bounds. In a teacher--student model, curvature collapse and an isotropic Marchenko--Pastur spectral profile connect early-stage dissipation to the represented nuclear-to-squared-Frobenius norm ratio. Pretraining experiments on LLaMA2-130M and LLaMA2-600M, together with fixed-momentum diagnostics, show that balanced non-native representations can match the performance of the native representation, whereas reducing the shorter dimension weakens the scaling and singular-channel support, leading to behavior that increasingly resembles normalized momentum.

cs.LG↗
arXiv2026

Parallel Rollout Approximation for Pixel-Space Autoregressive Image Generation

Pixel-space continuous-token autoregressive (AR) generation directly models images as sequences of raw pixel patches, avoiding discrete tokenization or a separately pretrained tokenizer. However, it faces coupled challenges: high-dimensional patch generation causes large single-step errors, and teacher-forced training creates a train--inference gap that makes these errors accumulate across AR steps. Existing fixes such as $x$-prediction and input noise injection only partially mitigate these issues. Exact rollout training better matches inference-time conditions, but is impractical due to prohibitively slow sequential sampling. We propose \emph{Parallel Rollout Approximation} (PRA), a scalable framework that addresses both challenges jointly. PRA generates low-dimensional intermediate states instead of high-dimensional pixel patches, then maps them back to pixel-space tokens with a pixel decoder, preserving a pixel-in, pixel-out AR interface. It also constructs inference-like pixel inputs through the same intermediate-state-to-pixel path used at inference, independently across positions, approximating the pixel-feedback interface encountered during inference-time rollout while retaining parallel teacher-forced training. On class-conditional ImageNet-1K generation at $256\times256$ resolution, PRA-S with 135M parameters achieves an FID of 2.58, surpassing the previous billion-scale pixel-space AR result of 3.60. Scaling to PRA-L with 511M parameters further improves FID to 1.94, establishing a new state of the art among pixel-space AR models. Beyond generation, PRA achieves higher ImageNet classification probing accuracy than other AR and diffusion baselines, suggesting its potential for unified pixel-space image generation and understanding.

cs.CV↗
arXiv2026

Ouroboros-Spatial: Closing the Data-Model Loop for Spatial Reasoning

Spatial reasoning remains a persistent challenge for multimodal large language models (MLLMs). Existing approaches largely rely on large-scale, statically curated datasets, where all training samples are treated uniformly regardless of the model's evolving capabilities. This static paradigm is inherently data-inefficient: training capacity is often spent on samples that are either trivial or overly difficult for the model at its current stage. To address this limitation, we propose Ouroboros-Spatial, a self-evolving training framework in which the model plays dual roles as a proposer and a solver. In each iteration, a frozen proposer generates spatial question-answer (QA) pairs from 3D scene metadata and raw video frames, together with executable code for deriving reliable ground truth. A learnable solver is then fine-tuned on the accepted samples, and its per-sample prediction confidence is used as a difficulty signal. This signal is fed back to the proposer in the next iteration, guiding it to generate questions better matched to the solver's current capabilities. Through this closed-loop design, the training distribution co-evolves with model ability, reducing redundant trivial examples while filtering out ambiguous or uninformative samples with limited learning value. Across six spatial reasoning benchmarks, Ouroboros-Spatial substantially improves Qwen3-VL-4B and Qwen3-VL-8B while using an order of magnitude fewer training examples than recent large-scale curated datasets. On VSI-Bench, it yields absolute gains of 9.9 and 6.8 points for the 4B and 8B models, respectively, enabling both to outperform a wide range of strong open-source and proprietary baselines.

cs.CV↗
arXiv2026

One LR Doesn't Fit All: Heavy-Tail Guided Layerwise Learning Rates for LLMs

Learning rate configuration is a fundamental aspect of modern deep learning. The prevailing practice of applying a uniform learning rate across all layers overlooks the structural heterogeneity of Transformers, potentially limiting their effectiveness as the backbone of Large Language Models (LLMs). In this paper, we introduce Layerwise Learning Rate (LLR), an adaptive scheme that assigns distinct learning rates to individual Transformer layers. Our method is grounded in Heavy-Tailed Self-Regularization (HT-SR) theory, which characterizes the empirical spectral density (ESD) of weight correlation matrices to quantify heavy-tailedness. Layers with weaker heavy-tailedness are assigned larger learning rates to accelerate training, while layers with stronger heavy-tailedness receive smaller learning rates. By tailoring learning rates in this manner, LLR promotes more balanced training across layers, leading to faster convergence and improved generalization. Extensive experiments across architectures ranging from LLaMA to GPT-nano, optimizers including AdamW and Muon, and model scales from 60M to 3B parameters with up to 100B training tokens demonstrate the effectiveness of LLR. LLR achieves up to 1.5x training speedup and consistently outperforms uniform-learning-rate baselines. In particular, it improves the average zero-shot accuracy of 1B models from 47.09% to 49.02%, and that of 3B models from 48.58% to 50.61%. A key advantage of LLR is its low tuning overhead: it can transfer nearly optimal learning-rate settings directly from the uniform baseline. Code is available at https://github.com/hed-ucas/Layer-wise-Learning-Rate.

cs.LG↗
arXiv2026

Lossless Anti-Distillation Sampling

Frontier commercial generative models face a growing threat from distillation, whereby a distiller harvests generated responses and trains a competing model of its own at drastically lower cost. Existing defenses either rely on modifying the models outputs, thereby sacrificing response quality for benign users, or on behavioral detection methods, which can be readily circumvented by distributing queries across multiple accounts. In this work, we propose Lossless Anti-Distillation Sampling (LADS), a novel sampling scheme specifically designed to counter multi-account distillation while maintaining a lossless experience for benign users. Concretely, LADS derives the randomness underlying each generation from a private seed determined by the semantic content of the query and the number of times the user has queried the model. By construction, every benign user receives a response independently sampled from the original model at each visit, and thus experiences no distortion. In contrast, for a distiller, different accounts share latent randomness whenever their queries fall in the same semantic bucket. As a result, the harvested data becomes correlated, potentially reducing sample diversity and degrading generalization. Using uniform convergence theory, we show that LADS provably degrades the convergence rate of the distillers generalization gap relative to standard i.i.d. sampling in both unconditional and conditional generation settings. Experiments on image generation, mathematical reasoning, and code generation confirm that LADS substantially degrades the performance of distilled students while preserving exact statistical fidelity for individual users.

cs.LG↗
arXiv2026

Quotient-Space Diffusion Models

Diffusion-based generative models have reformed generative AI, and also enabled new capabilities in the science domain, e.g., fast generation of 3D structures of molecules. In such tasks, there is often a symmetry in the system, identifying elements that can be converted by certain transformations as equivalent. Equivariant diffusion models guarantee a symmetric distribution, but miss the opportunity to make learning easier, while alignment-based simplification attempts fail to preserve the target distribution. In this work, we develop quotient-space diffusion models, a principled generative framework to fully handle and leverage symmetry. By viewing the intrinsic generation process on the quotient space, the exact construction that removes symmetry redundancy, the framework simplifies learning by allowing model output to have an arbitrary intra-equivalence-class movement, while generating the correct symmetric target distribution with guarantee. We instantiate the framework for molecular structure generation which follows $\mathrm{SE}(3)$ (rigid-body movement) symmetry. It improves the performance over equivariant diffusion models and outperforms alignment-based methods universally for small molecules and proteins, representing a new framework that surpasses previous symmetry treatments in generative models.

cs.LG↗
arXiv2026

Structured Scaling of AI Discovery Across Diverse Scientific Domains

Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions. Language models can increasingly participate in these loops, but simply generating more attempts does not ensure progress: parallel searches may duplicate one another and iterative refinement may become trapped in poor directions. The central challenge is therefore not only to scale AI-driven discovery, but to structure that scaling so that evaluation signals compound over time. Here we introduce SimpleTES (Simple Test-time Evaluation-driven Scaling), a framework that focuses on the structured scaling of AI discovery loops, organizing evaluator queries across independent trajectories, iterative refinement, local candidate selection, and the selective reuse of evaluated histories. Drawing on structural features of scientific communities, SimpleTES uses a single open-source GPT-OSS model to establish new state-of-the-art solutions across 28 open-ended problems in diverse scientific domains ranging from quantum physics and astronomy to biology, AI, and mathematics. These include a 24.5% reduction in quantum circuit compilation overhead, up to 23% lower propulsive cost for deep-space trajectories, a 2.17x faster lasso-path solver, an 8.5% lower-error whole-brain neural-activity predictor, the fastest reported TriMul kernel, and new mathematical constructions beyond prior human or AI records. We further post-train the model for long-horizon discovery by assigning each attempt the final outcome of the trajectory it helped produce. This improves performance on both training and held-out mathematics problems, further advancing the frontier. Together, these results establish structured scaling as a general mechanism for advancing AI scientific discovery.

cs.LG↗
arXiv2026

In-Place Test-Time Training

The static ``train then deploy" paradigm fundamentally limits Large Language Models (LLMs) from dynamically adapting their weights in response to continuous streams of new information inherent in real-world tasks. Test-Time Training (TTT) offers a compelling alternative by updating a subset of model parameters (fast weights) at inference time, yet its potential in the current LLM ecosystem is hindered by critical barriers including architectural incompatibility, computational inefficiency and misaligned fast weight objectives for language modeling. In this work, we introduce In-Place Test-Time Training (In-Place TTT), a framework that seamlessly endows LLMs with Test-Time Training ability. In-Place TTT treats the final projection matrix of the ubiquitous MLP blocks as its adaptable fast weights, enabling a ``drop-in" enhancement for LLMs without costly retraining from scratch. Furthermore, we replace TTT's generic reconstruction objective with a tailored, theoretically-grounded objective explicitly aligned with the Next-Token-Prediction task governing autoregressive language modeling. This principled objective, combined with an efficient chunk-wise update mechanism, results in a highly scalable algorithm compatible with context parallelism. Extensive experiments validate our framework's effectiveness: as an in-place enhancement, it enables a 4B-parameter model to achieve superior performance on tasks with contexts up to 128k, and when pretrained from scratch, it consistently outperforms competitive TTT-related approaches. Ablation study results further provide deeper insights on our design choices. Collectively, our results establish In-Place TTT as a promising step towards a paradigm of continual learning in LLMs.

cs.LG↗
arXiv2026

AgentFactory: A Self-Evolving Framework Through Executable Subagent Accumulation and Reuse

Building LLM-based agents has become increasingly important. Recent works on LLM-based agent self-evolution primarily record successful experiences as textual prompts or reflections, which cannot reliably guarantee efficient task re-execution in complex scenarios. We propose AgentFactory, a new self-evolution paradigm that preserves successful task solutions as executable subagent code rather than textual experience. Crucially, these subagents are continuously refined based on execution feedback, becoming increasingly robust and efficient as more tasks are encountered. Saved subagents are pure Python code with standardized documentation, enabling portability across any Python-capable system. We demonstrate that AgentFactory enables continuous capability accumulation: its library of executable subagents grows and improves over time, progressively reducing the effort required for similar tasks without manual intervention. Our implementation is open-sourced at https://github.com/zzatpku/AgentFactory, and our demonstration video is available at https://youtu.be/iKSsuAXJHW0.

cs.AI↗
arXiv2026

Understanding vs. Generation: Navigating Optimization Dilemma in Multimodal Models

Current research in multimodal models faces a key challenge where enhancing generative capabilities often comes at the expense of understanding, and vice versa. We analyzed this trade-off and identify the primary cause might be the potential conflict between generation and understanding, which creates a competitive dynamic within the model. To address this, we propose the Reason-Reflect-Refine (R3) framework. This innovative algorithm re-frames the single-step generation task into a multi-step process of "generate-understand-regenerate". By explicitly leveraging the model's understanding capability during generation, we successfully mitigate the optimization dilemma, achieved stronger generation results and improved understanding ability which are related to the generation process. This offers valuable insights for designing next-generation unified multimodal models. Code is available at https://github.com/sen-ye/R3.

cs.CV↗
arXiv2026

SPARKLING: Balancing Signal Preservation and Symmetry Breaking for Width-Progressive Learning

Progressive Learning (PL) reduces pre-training computational overhead by gradually increasing model scale. While prior work has extensively explored depth expansion, width expansion remains significantly understudied, with the few existing methods limited to the early stages of training. However, expanding width during the mid-stage is essential for maximizing computational savings, yet it remains a formidable challenge due to severe training instabilities. Empirically, we show that naive initialization at this stage disrupts activation statistics, triggering loss spikes, while copy-based initialization introduces gradient symmetry that hinders feature diversity. To address these issues, we propose SPARKLING (balancing {S}ignal {P}reservation {A}nd symmet{R}y brea{K}ing for width-progressive {L}earn{ING}), a novel framework for mid-stage width expansion. Our method achieves signal preservation via RMS-scale consistency, stabilizing activation statistics during expansion. Symmetry breaking is ensured through asymmetric optimizer state reset and asymmetric learning rate re-warmup. Extensive experiments on dense and Mixture-of-Experts (MoE) models demonstrate that, across multiple width axes and optimizer families, SPARKLING consistently outperforms training from scratch and reduces training cost by up to 35% under $2\times$ width expansion.

cs.LG↗
arXiv2026

Towards Solving the Gilbert-Pollak Conjecture via Large Language Models

The Gilbert-Pollak Conjecture \citep{gilbert1968steiner}, also known as the Steiner Ratio Conjecture, states that for any finite point set in the Euclidean plane, the Steiner minimum tree has length at least $\sqrt{3}/2 \approx 0.866$ times that of the Euclidean minimum spanning tree (the Steiner ratio). A sequence of improvements through the 1980s culminated in a lower bound of $0.824$, with no substantial progress reported over the past three decades. Recent advances in LLMs have demonstrated strong performance on contest-level mathematical problems, yet their potential for addressing open, research-level questions remains largely unexplored. In this work, we present a novel AI system for obtaining tighter lower bounds on the Steiner ratio. Rather than directly prompting LLMs to solve the conjecture, we task them with generating rule-constrained geometric lemmas implemented as executable code. These lemmas are then used to construct a collection of specialized functions, which we call verification functions, that yield theoretically certified lower bounds of the Steiner ratio. Through progressive lemma refinement driven by reflection, the system establishes a new certified lower bound of 0.8559 for the Steiner ratio. The entire research effort involves only thousands of LLM calls, demonstrating the strong potential of LLM-based systems for advanced mathematical research.

cs.DM↗
arXiv2026

The AI Hippocampus: How Far are We From Human Memory?

Memory plays a foundational role in augmenting the reasoning, adaptability, and contextual fidelity of modern Large Language Models and Multi-Modal LLMs. As these models transition from static predictors to interactive systems capable of continual learning and personalized inference, the incorporation of memory mechanisms has emerged as a central theme in their architectural and functional evolution. This survey presents a comprehensive and structured synthesis of memory in LLMs and MLLMs, organizing the literature into a cohesive taxonomy comprising implicit, explicit, and agentic memory paradigms. Specifically, the survey delineates three primary memory frameworks. Implicit memory refers to the knowledge embedded within the internal parameters of pre-trained transformers, encompassing their capacity for memorization, associative retrieval, and contextual reasoning. Recent work has explored methods to interpret, manipulate, and reconfigure this latent memory. Explicit memory involves external storage and retrieval components designed to augment model outputs with dynamic, queryable knowledge representations, such as textual corpora, dense vectors, and graph-based structures, thereby enabling scalable and updatable interaction with information sources. Agentic memory introduces persistent, temporally extended memory structures within autonomous agents, facilitating long-term planning, self-consistency, and collaborative behavior in multi-agent systems, with relevance to embodied and interactive AI. Extending beyond text, the survey examines the integration of memory within multi-modal settings, where coherence across vision, language, audio, and action modalities is essential. Key architectural advances, benchmark tasks, and open challenges are discussed, including issues related to memory capacity, alignment, factual consistency, and cross-system interoperability.

cs.AI↗
arXiv2026

Luminark: Training-free, Probabilistically-Certified Watermarking for General Vision Generative Models

In this paper, we introduce \emph{Luminark}, a training-free and probabilistically-certified watermarking method for general vision generative models. Our approach is built upon a novel watermark definition that leverages patch-level luminance statistics. Specifically, the service provider predefines a binary pattern together with corresponding patch-level thresholds. To detect a watermark in a given image, we evaluate whether the luminance of each patch surpasses its threshold and then verify whether the resulting binary pattern aligns with the target one. A simple statistical analysis demonstrates that the false positive rate of the proposed method can be effectively controlled, thereby ensuring certified detection. To enable seamless watermark injection across different paradigms, we leverage the widely adopted guidance technique as a plug-and-play mechanism and develop the \emph{watermark guidance}. This design enables Luminark to achieve generality across state-of-the-art generative models without compromising image quality. Empirically, we evaluate our approach on nine models spanning diffusion, autoregressive, and hybrid frameworks. Across all evaluations, Luminark consistently demonstrates high detection accuracy, strong robustness against common image transformations, and good performance on visual quality.

cs.CV↗
arXiv2025

From Five Dimensions to Many: Large Language Models as Precise and Interpretable Psychological Profilers

Psychological constructs within individuals are widely believed to be interconnected. We investigated whether and how Large Language Models (LLMs) can model the correlational structure of human psychological traits from minimal quantitative inputs. We prompted various LLMs with Big Five Personality Scale responses from 816 human individuals to role-play their responses on nine other psychological scales. LLMs demonstrated remarkable accuracy in capturing human psychological structure, with the inter-scale correlation patterns from LLM-generated responses strongly aligning with those from human data $(R^2 > 0.89)$. This zero-shot performance substantially exceeded predictions based on semantic similarity and approached the accuracy of machine learning algorithms trained directly on the dataset. Analysis of reasoning traces revealed that LLMs use a systematic two-stage process: First, they transform raw Big Five responses into natural language personality summaries through information selection and compression, analogous to generating sufficient statistics. Second, they generate target scale responses based on reasoning from these summaries. For information selection, LLMs identify the same key personality factors as trained algorithms, though they fail to differentiate item importance within factors. The resulting compressed summaries are not merely redundant representations but capture synergistic information--adding them to original scores enhances prediction alignment, suggesting they encode emergent, second-order patterns of trait interplay. Our findings demonstrate that LLMs can precisely predict individual participants' psychological traits from minimal data through a process of abstraction and reasoning, offering both a powerful tool for psychological simulation and valuable insights into their emergent reasoning capabilities.

cs.AI↗