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Oct 23

Revisiting the Shape Convention of Transformer Language Models

Dense Transformer language models have largely adhered to one consistent architectural shape: each layer consists of an attention module followed by a feed-forward network (FFN) with a narrow-wide-narrow MLP, allocating most parameters to the MLP at expansion ratios between 2 and 4. Motivated by recent results that residual wide-narrow-wide (hourglass) MLPs offer superior function approximation capabilities, we revisit the long-standing MLP shape convention in Transformer, challenging the necessity of the narrow-wide-narrow design. To study this, we develop a Transformer variant that replaces the conventional FFN with a deeper hourglass-shaped FFN, comprising a stack of hourglass sub-MLPs connected by residual pathways. We posit that a deeper but lighter hourglass FFN can serve as a competitive alternative to the conventional FFN, and that parameters saved by using a lighter hourglass FFN can be more effectively utilized, such as by enlarging model hidden dimensions under fixed budgets. We confirm these through empirical validations across model scales: hourglass FFNs outperform conventional FFNs up to 400M and achieve comparable performance at larger scales to 1B parameters; hourglass FFN variants with reduced FFN and increased attention parameters show consistent improvements over conventional configurations at matched budgets. Together, these findings shed new light on recent work and prompt a rethinking of the narrow-wide-narrow MLP convention and the balance between attention and FFN towards efficient and expressive modern language models.

Residual Stream Duality in Modern Transformer Architectures

Recent work has made clear that the residual pathway is not mere optimization plumbing; it is part of the model's representational machinery. We agree, but argue that the cleanest way to organize this design space is through a two-axis view of the Transformer. A decoder evolves information along two ordered dimensions: sequence position and layer depth. Self-attention already provides adaptive mixing along the sequence axis, whereas the residual stream usually performs fixed addition along the depth axis. If we fix a token position and treat layer index as the ordered variable, then a causal depth-wise residual attention read is exactly the same local operator as causal short sliding-window attention (ShortSWA), except written over depth rather than over sequence. This is the core residual stream duality behind Transformer^2. This perspective also clarifies the recent literature. ELC-BERT and DenseFormer already show that learned aggregation over depth can outperform uniform residual accumulation, while Vertical Attention, DeepCrossAttention (DCA), MUDDFormer, and Attention Residuals move further toward explicit attention-based routing over earlier layers. The key point, however, is that operator-level duality does not imply systems-level symmetry. For large-scale autoregressive models, sequence-axis ShortSWA is usually the more hardware-friendly placement because it reuses token-side sliding-window kernels, KV-cache layouts, and chunked execution. If the goal is instead to change the shortcut itself, Deep Delta Learning (DDL) is the cleaner intervention because it modifies the residual operator directly rather than adding a separate cross-layer retrieval path. Our recommendation is therefore simple: use DDL when the shortcut is the object of interest, and use sequence-axis ShortSWA when the goal is local adaptive mixing.

math-ai math-ai
·
Mar 16 2

Structured Residual Connectivity Matters for Diffusion Transformers

Diffusion Transformers (DiTs) have established themselves as a scalable backbone for high-fidelity image synthesis. However, unlike U-Net based diffusion models that rely on rigid, hand-crafted skip connections, DiTs predominantly use a uniform residual stream that integrates all preceding layers as a monolithic state. In this work, we rethink residual connections in diffusion transformers and propose to transform them from passive summation into an active retrieval mechanism optimized for image denoising. First, we conduct a systematic analysis of DiT's internal representation, revealing a latent preference for early-layer feature reuse and symmetric layer guidance. Motivated by this, we introduce a structured connectivity design that explicitly integrates local residual connections with long-range pathways. Instead of static skip connections or dense all-layer routing, our method enables each transformer block to selectively ``attend'' to critical earlier representations, dynamically retrieving spatial and semantic cues through direct, differentiable cross-depth paths. Experiments show that our adaptive connectivity leads to faster convergence, with up to 1.73times fewer training iterations, and significant gains in FID and visual quality with less than 0.1% additional parameters, further improving a strong REPA-XL/2 model from 5.9 to 4.34 FID without guidance and reaching 1.39 FID with classifier-free guidance. Our findings suggest that adaptive cross-layer connectivity is a critical yet underexplored factor in diffusion transformers, and that incorporating structured information pathways provides a simple and effective direction for improving scalable generative models.

Control-Anchored Residual Flow Matching Conditioned on Gene Geometry for Virtual Cell Perturbation Modeling

A central task in virtual cell modeling is predicting single-cell transcriptional responses to unseen genetic perturbations and drug combinations, and biological networks provide valuable priors on gene relationships. Existing graph-based models commonly use the same network to structure gene representations and mediate intergene interactions, thereby implicitly treating stable associations as perturbation-response pathways. Gene Ontology and control-derived coexpression networks encode relatively stable relationships rather than intervention-specific response directions or magnitudes. We therefore propose GeneGeoFlow, which conditions a control-anchored residual flow on gene-wise geometry derived from biological networks to learn intervention-specific transcriptional responses. GeneGeoFlow derives multi-scale spectral coordinates from Gene Ontology and control-derived coexpression networks. A perturbation-conditioned, gene-wise gating module selects relevant structural scales and network sources, yielding intervention-specific gene geometry. The resulting geometry conditions a control-anchored residual flow without explicitly propagating target-derived signals along the graph. Condition-wise optimal transport couples unpaired control and perturbed populations for training, while a Delta-correlation objective aligns the predicted and observed condition-level expression-shift directions. GeneGeoFlow achieves Pearson Delta scores of 0.8979 on the Norman additive benchmark and 0.9088 on five held-out drug combinations in the fixed ComboSciPlex test split. These results support perturbation-conditioned gene geometry as an effective structural prior for intervention-specific response prediction, without conflating stable gene relationships with response propagation.

  • 13 authors
·
Aug 6

Skeleton-Grounded Latent Action Model for Robot World Models

Robot world models simulate how environments evolve in response to robot actions. Latent action models enable learning dynamics from videos by encoding visual transitions as proxy actions. However, reconstruction-driven latent actions mix robot motion with object responses and other scene changes, complicating their correspondence with robot controls. We propose SkeLAM, a skeleton-guided latent action model for controllable robot world modeling. SkeLAM decomposes latent actions into a kinematic component grounded by robot skeleton supervision and a residual component retaining complementary visual dynamics. Cross-modal swap reconstruction encourages RGB-derived and skeleton-derived kinematic representations to be interchangeable during video reconstruction. The world model incorporates both components through separate conditioning pathways, while branch dropout reduces its dependence on future-derived residual information. A lightweight adapter maps robot actions to the kinematic space, and subsequent world-model fine-tuning adapts generation to these predicted conditions. At inference, the model generates future observations from the current observation and robot actions. On DROID, SkeLAM reduces end-effector ADE by 19.5% and LPIPS by 11.1% compared with DreamDojo. Motion probing supports kinematic specialization, while qualitative results demonstrate zero-shot human-to-robot motion transfer in generated rollouts. Policy evaluation shows agreement between predicted success rates and those measured in real robot executions.

  • 6 authors
·
Oct 21 1

ScaleResfusion: Residual Rectified Flow based on Residual Vector Field

Real-world Image Restoration (Real-IR) aims to recover high-quality (HQ) images from complex and unknown degradations. Although recent diffusion-based methods have substantially improved perceptual quality, their current designs leave two key challenges unresolved. Methods that start from Gaussian noise are slow and often less faithful to the degraded input. Residual-based methods usually train from scratch, which makes it hard to exploit modern pre-trained generative priors. In this paper, we present ScaleResfusion, a scalable diffusion framework for real-world image restoration built on pre-trained text-to-image rectified-flow models. The core of our method is Residual Rectified Flow, which introduces the residual term R into Standard Rectified Flow. Instead of starting from pure noise, it uses a residual transport path that starts from noisy low-quality (LQ) images and admits an exact acceleration point. By learning the residual vector field, Residual Rectified Flow keeps the output distribution and linear diffusion process consistent with the pre-trained rectified-flow models. This makes parameter-efficient fine-tuning possible at scale. We further introduce a knowledge-distillation pipeline to reduce sampling cost while maintaining restoration quality. Extensive experiments on multiple real-world restoration tasks show that ScaleResfusion achieves state-of-the-art performance with much higher efficiency. These results suggest a practical and scalable way to adapt large pre-trained diffusion models to real-world image restoration. Our code and models are available at https://github.com/YukinoshitaLove/ScaleResfusion.

  • 7 authors
·
Jul 27

The Regression Tax: Decomposing Why Skills Help and Hurt LLM Agents

Adding procedural skills to an LLM agent is typically evaluated by average improvement in task success. However, this metric hides an important cost: skills can also make agents worse. We measure both sides by comparing agents with and without skills across nearly 6,000 runs spanning two office automation benchmarks and three model harness stacks. This allows us to distinguish two outcomes. A regression is a task solved without skills but failed after skills are added. A residual failure is a task that fails both with and without skills. We find that regressions are substantial enough that the best performing skills outperform others primarily by regressing less, not by gaining more. We identify three causes of regression: (i) skill description osmosis, a skill changes an agent's behavior simply by being present in context, even when it is never invoked; (ii) grounding displacement, a skill's prescribed procedure overrides how the agent interprets its inputs; and (iii) verification displacement, where the procedure suppresses checks the agent would otherwise perform on its outputs. Analysing persistent failures reveals the same underlying pattern. Existing skills overemphasize procedural guidance the stage least often responsible for failure while under supporting grounding and verification, the dominant sources of remaining errors. After correcting evaluation artifacts and studying traces, we find many regressions and persistent failures recoverable through better grounding and verification. Procedural skills should be evaluated by decomposing their net effect into gains and regressions, not by aggregate improvement alone. We identify three regression modes skills should avoid, and find that reliability depends more on grounding and verification than on procedural skill choice.

  • 2 authors
·
Jul 23

Delta Attention Residuals

Attention Residuals replace standard additive residual connections with learned softmax attention over previous layer outputs, enabling selective cross-layer routing. However, standard Attention Residuals still attend over cumulative hidden states in previous layers, which are highly redundant. We show that this redundancy leads to routing collapse in deeper layers: attention weights become low-contrast and closer to uniform (max weight {approx}0.2), limiting the model's ability to select informative states in previous layers. This raises a key but underexplored design question: what layer-wise representations should be routed in Attention Residuals? To answer this question, we propose Delta Attention Residuals, which attend over deltas -- the change introduced by each sublayer (v_i = h_{i+1} - h_i) -- instead of cumulative states. Delta representations are structurally diverse and yield higher-contrast attention distributions (max weight {approx}0.6), enabling more selective and effective routing across layers. This principle applies at both per-sublayer and block granularity. Across all tested scales (220M--7.6B), Delta Attention Residuals consistently outperform both standard residuals and Attention Residuals, with 1.7--8.2\% validation perplexity gains. Delta Attention Residuals also enables converting pretrained checkpoints into Delta Attention Residuals via standard fine-tuning. Code is available at https://github.com/wdlctc/delta-attention-residuals-code.

  • 3 authors
·
May 12 4

On-Policy Residual Learning for Diffusion Language Models

Residual context is key to unlocking the speed-quality Pareto frontier of diffusion language models (DLMs) by carrying forward predictive distributions across denoising steps. Yet turning this seemingly simple mechanism into an effective learning paradigm is far from simple: there is no clear recipe for how residual context should be learned. We introduce ORL, a framework for on-policy residual learning in DLMs. Algorithmically, we identify that residual learning is inherently on-policy. ORL learns from model-induced residual trajectories on the fly and introduces an entropy-contraction objective that sharpens predictions as the model revisits its own predictions. System-wise, exact residual supervision requires capturing, retaining, and reprocessing many trajectory-dependent states. ORL co-designs the algorithm with asynchronous residual capture and transport, specialized block-diffusion attention, and packed compute-balanced training, making it practical at scale. On a 4B DLM converted from Qwen3-4B, ORL improves tokens per forward (TPF) by up to 6.2x and, with our dlmrt engine, end-to-end throughput by approximately 6.9x at comparable or better quality. In single-request serving on one H100, this mode achieves a stronger speed-quality Pareto frontier than autoregressive models with EAGLE3 and DFlash speculative decoding under both strict and relaxed verification, running 1.74x faster than DFlash at matched accuracy. ORL also transfers to existing DLMs: on LLaDA-2.1-mini, 36 H100-hours and 4.2M self-generated tokens, about 10x less data than prior LLaDA recipes, yield up to 1.5x higher TPF and up to 3x higher throughput at comparable quality, and on DiffusionGemma, ORL raises TPF by 1.1-1.2x. With dlmrt and NVFP4 quantization, ORL models decode a single request at up to 5,046 tokens/s on one B200, 7,708 on eight B200s, and 2,788 on a consumer RTX 5090, with comparable quality.

  • 12 authors
·
Oct 13

Counterfactual Predictions in Scientific Emulators Without Controlled Experiments

Many scientific questions require reasoning about what was never observed: What if the conditions, interventions, or history had been different? Models can predict accurately on observed data yet fail on such what-if queries when correlated inputs are varied independently. A common remedy is to add controlled simulation data in which these factors are explicitly disentangled, but this requires access to a simulator, can be computationally expensive, and inherits the simulator's modeling assumptions. We introduce ReRoute, a framework for targeted scientific what-if prediction that combines factual data with partial mechanistic knowledge, without requiring controlled intervention data for adaptation. ReRoute fixes the queried input of a pretrained backbone to a reference value, reintroduces its variation through a known mechanistic pathway, and fine-tunes on the original factual data, while leaving downstream effects to the learned dynamics. We provide a causal identification result for this construction under explicit structural assumptions, with the core argument machine-checked in Lean. After showing that ReRoute achieves highly accurate counterfactual predictions in a controlled advection-diffusion system where exact responses are available, we turn to state-of-the-art climate emulation. On held-out coupled-climate interventions, ReRoute reduces aggregate climate error by 18.2-31.8% under severe CO_2 distribution shifts while preserving skill under standard conditions, at a small fraction of the cost of retraining on additional controlled simulations, without even accounting for the substantial expense of generating such data. Finally, on an emulator trained from historical ERA5 reanalysis, where no counterfactual reference exists, ReRoute preserves substantially more of the surface warming implied by the observed boundary conditions under a fixed-CO_2 counterfactual.

  • 6 authors
·
Sep 29

SciPaths: Forecasting Pathways to Scientific Discovery

Scientific progress depends on sequences of enabling contributions, yet existing AI4Science benchmarks largely focus on citation prediction, literature retrieval, or idea generation rather than the dependencies that make progress possible. In this paper, we introduce discovery pathway forecasting: given a target scientific contribution and the prior literature available at a specified time, the task is to (1) identify the enabling contributions required to realize it and (2) ground each in prior work when such prior work exists. We present SciPaths, a benchmark of 262 expert-annotated gold pathways and 2,444 silver pathways constructed from machine learning and natural language processing papers, where each pathway records enabling contributions, roles, rationales, and prior-work groundings or unmapped decisions. Evaluating frontier and open-weight language models, we find that the best model reaches only 0.189 F1 under strict semantic matching, with core methodological dependencies hardest to recover. Prior-work grounding improves substantially when gold enabling contributions are provided, showing that decomposition quality is a major bottleneck for end-to-end pathway recovery. SciPaths therefore shifts evaluation toward a missing capability in scientific forecasting: reasoning backward from a target contribution to the enabling scientific building blocks and prior-work dependencies that make it feasible.

  • 7 authors
·
May 13

Surprised by Attention: Predictable Query Dynamics for Time Series Anomaly Detection

Multivariate time series anomalies often manifest as shifts in cross-channel dependencies rather than simple amplitude excursions. In autonomous driving, for instance, a steering command might be internally consistent but decouple from the resulting lateral acceleration. Residual-based detectors can miss such anomalies when flexible sequence models still reconstruct signals plausibly despite altered coordination. We introduce AxonAD, an unsupervised detector that treats multi-head attention query evolution as a short horizon predictable process. A gradient-updated reconstruction pathway is coupled with a history-only predictor that forecasts future query vectors from past context. This is trained via a masked predictor-target objective against an exponential moving average (EMA) target encoder. At inference, reconstruction error is combined with a tail-aggregated query mismatch score, which measures cosine deviation between predicted and target queries on recent timesteps. This dual approach provides sensitivity to structural dependency shifts while retaining amplitude-level detection. On proprietary in-vehicle telemetry with interval annotations and on the TSB-AD multi-variate suite (17 datasets, 180 series) with threshold-free and range-aware metrics, AxonAD improves ranking quality and temporal localization over strong baselines. Ablations confirm that query prediction and combined scoring are the primary drivers of the observed gains. Code is available at the URL https://github.com/iis-esslingen/AxonAD.

ProtoPathway: Biologically Structured Prototype-Pathway Fusion for Multimodal Cancer Survival Prediction

We introduce ProtoPathway, an interpretable-by-design multimodal framework for cancer survival prediction that unifies whole slide imaging and transcriptomics through encoders producing biologically grounded representations on both sides of the fusion. On the histopathology side, K learnable morphological prototypes, trained end-to-end with the survival objective, serve as the slide representation itself: patches flow into prototype tokens via soft assignment, compressing variable-length patch sets into fixed task-adaptive tokens. On the genomic side, a bipartite graph neural network encodes gene expression within the Reactome pathway hierarchy, producing pathway embeddings that reflect both constituent genes and their broader biological context through bidirectional message passing over a shared gene--pathway graph. Cross-modal attention then operates over a compact prototype times pathway matrix in which prototypes query pathways, modeling the biological direction in which molecular programs give rise to tissue morphology. Because both axes carry stable task-learned identity, the attention matrix is itself an interpretability output, yielding native inference-time attribution across the full biological hierarchy, from genes through pathways and prototypes to spatial tissue maps. We evaluate on five TCGA cancer cohorts, demonstrating competitive or superior survival prediction with substantially improved biological interpretability and reduced computational cost, with interpretability claims validated through fold-stratified rank-based population-level analysis. Our source code, model weights, and Reactome pathways, together with a unified codebase reimplementing all multimodal survival baselines under identical preprocessing and evaluation, are available at: https://github.com/AmayaGS/ProtoPathway.

  • 5 authors
·
May 19

Sparsity is All You Need: Rethinking Biological Pathway-Informed Approaches in Deep Learning

Biologically-informed neural networks typically leverage pathway annotations to enhance performance in biomedical applications. We hypothesized that the benefits of pathway integration does not arise from its biological relevance, but rather from the sparsity it introduces. We conducted a comprehensive analysis of all relevant pathway-based neural network models for predictive tasks, critically evaluating each study's contributions. From this review, we curated a subset of methods for which the source code was publicly available. The comparison of the biologically informed state-of-the-art deep learning models and their randomized counterparts showed that models based on randomized information performed equally well as biologically informed ones across different metrics and datasets. Notably, in 3 out of the 15 analyzed models, the randomized versions even outperformed their biologically informed counterparts. Moreover, pathway-informed models did not show any clear advantage in interpretability, as randomized models were still able to identify relevant disease biomarkers despite lacking explicit pathway information. Our findings suggest that pathway annotations may be too noisy or inadequately explored by current methods. Therefore, we propose a methodology that can be applied to different domains and can serve as a robust benchmark for systematically comparing novel pathway-informed models against their randomized counterparts. This approach enables researchers to rigorously determine whether observed performance improvements can be attributed to biological insights.

  • 7 authors
·
May 6, 2025

Scaling Trajectories for Complex Tasks through Recursive Self-Rewrite

Successful trajectories on difficult tasks provide valuable supervision for model improvement, but specialized harnesses introduce interventions that may be unavailable during deployment. We propose Recursive Self-Rewrite (RSR), a framework that uses one base model, Qwen-3.8-27B, to discover successful solutions under diverse harnesses and reconstruct them as training trajectories under a general harness. A planner extracts procedures into runbooks, a critic screens for verifier and solution leakage and guides recursive revision, and an executor follows qualified runbooks in fresh sandboxes. Across approximately 3K self-curated terminal tasks, three harnesses jointly solve 759 tasks, 34.3% more than the strongest individual harness in the recorded pool. RSR expands 2,001 successful source trajectories into 11,094 rewritten trajectories for supervised finetuning. Training on these trajectories outperforms both the base model and direct trajectory SFT. Compared with the base model, pass@3 increases from 57.0% to 74.2% on Terminal-Bench 2, from 1.5% to 9.1% on Terminal-Bench 4, from 39.0% to 63.0% on our self-curated Terminal-Bench Hard, and from 3.0% to 6.0% on our Software Terminal-Bench. Process reward on Long-Horizon Terminal-Bench rises from 0.21 to 0.29. These results show how diverse harness-assisted experiences can be reconstructed into reusable capabilities for a model operating under a general harness.

Revisiting Data Challenges of Computational Pathology: A Pack-based Multiple Instance Learning Framework

Computational pathology (CPath) digitizes pathology slides into whole slide images (WSIs), enabling analysis for critical healthcare tasks such as cancer diagnosis and prognosis. However, WSIs possess extremely long sequence lengths (up to 200K), significant length variations (from 200 to 200K), and limited supervision. These extreme variations in sequence length lead to high data heterogeneity and redundancy. Conventional methods often compromise on training efficiency and optimization to preserve such heterogeneity under limited supervision. To comprehensively address these challenges, we propose a pack-based MIL framework. It packs multiple sampled, variable-length feature sequences into fixed-length ones, enabling batched training while preserving data heterogeneity. Moreover, we introduce a residual branch that composes discarded features from multiple slides into a hyperslide which is trained with tailored labels. It offers multi-slide supervision while mitigating feature loss from sampling. Meanwhile, an attention-driven downsampler is introduced to compress features in both branches to reduce redundancy. By alleviating these challenges, our approach achieves an accuracy improvement of up to 8% while using only 12% of the training time in the PANDA(UNI). Extensive experiments demonstrate that focusing data challenges in CPath holds significant potential in the era of foundation models. The code is https://github.com/FangHeng/PackMIL

  • 5 authors
·
Sep 25, 2025

SCASRec: A Self-Correcting and Auto-Stopping Model for Generative Route List Recommendation

Route recommendation systems commonly adopt a multi-stage pipeline involving fine-ranking and re-ranking to produce high-quality ordered recommendations. However, this paradigm faces three critical limitations. First, there is a misalignment between offline training objectives and online metrics. Offline gains do not necessarily translate to online improvements. Actual performance must be validated through A/B testing, which may potentially compromise the user experience. Second, redundancy elimination relies on rigid, handcrafted rules that lack adaptability to the high variance in user intent and the unstructured complexity of real-world scenarios. Third, the strict separation between fine-ranking and re-ranking stages leads to sub-optimal performance. Since each module is optimized in isolation, the fine-ranking stage remains oblivious to the list-level objectives (e.g., diversity) targeted by the re-ranker, thereby preventing the system from achieving a jointly optimized global optimum. To overcome these intertwined challenges, we propose SCASRec (Self-Correcting and Auto-Stopping Recommendation), a unified generative framework that integrates ranking and redundancy elimination into a single end-to-end process. SCASRec introduces a stepwise corrective reward (SCR) to guide list-wise refinement by focusing on hard samples, and employs a learnable End-of-Recommendation (EOR) token to terminate generation adaptively when no further improvement is expected. Experiments on two large-scale, open-sourced route recommendation datasets demonstrate that SCASRec establishes an SOTA in offline and online settings. SCASRec has been fully deployed in a real-world navigation app, demonstrating its effectiveness.

  • 8 authors
·
May 7

DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning

The synthesis of complex natural products remains one of the grand challenges of organic chemistry. We present DeepRetro, a major advancement in computational retrosynthesis that enables the discovery of viable synthetic routes for complex molecules typically considered beyond the reach of existing retrosynthetic methods. DeepRetro is a novel, open-source framework that tightly integrates large language models (LLMs), traditional retrosynthetic engines, and expert human feedback in an iterative design loop. Prior approaches rely solely on template-based methods or unconstrained LLM outputs. In contrast, DeepRetro combines the precision of template-based methods with the generative flexibility of LLMs, controlled by rigorous chemical validity checks and enhanced by recursive refinement. This hybrid system dynamically explores and revises synthetic pathways, guided by both algorithmic checks and expert chemist feedback through an interactive user interface. While DeepRetro achieves strong performance on standard retrosynthesis benchmarks, its true strength lies in its ability to propose novel, viable pathways to highly complex natural products-targets that have historically eluded automated planning. Through detailed case studies, we illustrate how this approach enables new routes for total synthesis and facilitates human-machine collaboration in organic chemistry. Beyond retrosynthesis, DeepRetro represents a working model for how to leverage LLMs in scientific discovery. We provide a transparent account of the system's design, algorithms, and human-feedback loop, enabling broad adaptation across scientific domains. By releasing DeepRetro as an open-source tool, we aim to empower chemists to tackle increasingly ambitious synthetic targets, accelerating progress in drug discovery, materials design, and beyond.

  • 9 authors
·
Aug 18, 2025

Residual Denoising Diffusion Models

Current diffusion-based image restoration methods feed degraded input images as conditions into the noise estimation network. However, interpreting this diffusion process is challenging since it essentially generates the target image from the noise. To establish a unified and more interpretable model for image generation and restoration, we propose residual denoising diffusion models (RDDM). In contrast to existing diffusion models (e.g., DDPM or DDIM) that focus solely on noise estimation, our RDDM predicts residuals to represent directional diffusion from the target domain to the input domain, while concurrently estimating noise to account for random perturbations in the diffusion process. The introduction of residuals allows us to redefine the forward diffusion process, wherein the target image progressively diffuses into a purely noisy image or a noise-carrying input image, thus unifying image generation and restoration. We demonstrate that our sampling process is consistent with that of DDPM and DDIM through coefficient transformation, and propose a partially path-independent generation process to better understand the reverse process. Notably, with native support for conditional inputs, our RDDM enables a generic UNet, trained with only an ell _1 loss and a batch size of 1, to compete with state-of-the-art image restoration methods. We provide code and pre-trained models to encourage further exploration, application, and development of our innovative framework (https://github.com/nachifur/RDDM).

  • 6 authors
·
Aug 25, 2023

LARC: Low-Rank Adaptive Residual Connections for Learning in Frozen Models

Low-Rank Adaptive Residual Connections (LARC) give a frozen model a compact numerical state that can learn from feedback. The map h+BAh adds a low-rank correction to a hidden representation. A slow state ρ learns starting factors across tasks; a private fast state Φ copies them, changes with feedback, and resets to the trained initialization. This report specifies an input-side realization of the numerical policy carrier in Memory-Mediated Learning Architecture and examines its factor-space dynamics and learning lifetime. We study a rank-4 input residual with 12,288 trainable parameters on a frozen MiniCPM5-1B-SFT substrate. In a four-candidate program-selection task, two feedback-gradient steps reduce expected query execution error by 24.65 and 36.65 percentage points relative to resetting to the respective trained static and post-adaptation initializations. These development results cover 16 parameter groups and three paired training seeds. A direct support-loss selection rule is much more accurate, reaching 0.78125% error. In a repository-balanced chronological replay of public continuous-integration jobs, retaining online updates raises half-Brier loss from 0.1274 to 0.1808. A fixed follow-up intervention records same-batch non-descent and inconsistent future benefit from shrinking updates. Together, the algebra and measurements distinguish residual capacity, adaptation relative to a starting point, and usefulness on later decisions.

  • 2 authors
·
Sep 29

Multi-Stream Attention Residuals

Attention Residuals (AttnRes) enables content-dependent retrieval over network depth, which can be viewed as single-stream softmax attention along the depth axis. Inspired by the success of multi-head attention along the sequence axis, we introduce Multi-Stream Attention Residuals (MSAR), an extension of AttnRes that generalizes this mechanism to multi-head depth attention, yielding substantial performance gains with minimal additional overhead. MSAR draws stream diversity from sequence context through multi-scale causal convolutions, allowing different heads to retrieve historical representations through distinct contextual views while preserving the integrity of the hidden representation. The retrieved streams are combined through lightweight adaptive mixing to generate the single-stream layer input. By retaining single-stream sources and expanding them on demand, MSAR supports multi-stream computation without requiring persistent multi-stream storage or communication. Across all 12 downstream benchmarks at the 18B and 28B MoE scales, MSAR consistently outperforms prior residual variants, including standard residual connections, manifold-constrained Hyper-Connections (mHC), and AttnRes. Scaling-law experiments yield an iso-loss compute speedup of 1.58times over the standard residual baseline, compared with 1.35times for AttnRes and 1.30times for mHC. These results make MSAR a promising residual architecture for large-scale pre-training.

ReGround: Restoring Visual Grounding in Multi-Step Reasoning through Self-Diagnosis and Visual Re-Examination

Vision-Language Models (VLMs) often lose visual grounding during multi-step reasoning: as reasoning chains grow longer, later inference steps rely increasingly on language priors rather than image evidence. We identify a consistent benchmark-level signature associated with this degradation: across 2,510 re-examined samples from four benchmarks, attention entropy over image tokens typically decreases during Round 1 and rises again after image re-injection. However, we find that effective visual re-examination requires two complementary ingredients: image re-injection and targeted self-diagnosis. Without targeted diagnosis, re-examination can even hurt performance, whereas accurate self-diagnosis yields substantial gains -- a swing of several points on key benchmarks, indicating that diagnostic quality is a key factor in whether re-examination helps or hurts in our setting. We present ReGround, a two-stage framework that teaches VLMs to self-diagnose grounding failures and selectively re-examine visual evidence, without architectural modifications or external tools. Through capability bootstrapping, a stronger variant from the same model family provides diagnostic scaffolding only during data construction, while the policy model learns to diagnose autonomously at inference time and retains most of the assisted gains. Experiments on eight benchmarks across two VLM backbones demonstrate consistent gains, especially on visually intensive multi-step reasoning tasks, while incurring only modest inference overhead relative to tool-augmented baselines. Project page: https://sespoir.github.io/reground-page/ . Code: https://github.com/sespoir/ReGround .

  • 3 authors
·
Aug 4

PathReasoner-R1: Instilling Structured Reasoning into Pathology Vision-Language Model via Knowledge-Guided Policy Optimization

Vision-Language Models (VLMs) are advancing computational pathology with superior visual understanding capabilities. However, current systems often reduce diagnosis to directly output conclusions without verifiable evidence-linked reasoning, which severely limits clinical trust and hinders expert error rectification. To address these barriers, we construct PathReasoner, the first large-scale dataset of whole-slide image (WSI) reasoning. Unlike previous work reliant on unverified distillation, we develop a rigorous knowledge-guided generation pipeline. By leveraging medical knowledge graphs, we explicitly align structured pathological findings and clinical reasoning with diagnoses, generating over 20K high-quality instructional samples. Based on the database, we propose PathReasoner-R1, which synergizes trajectory-masked supervised fine-tuning with reasoning-oriented reinforcement learning to instill structured chain-of-thought capabilities. To ensure medical rigor, we engineer a knowledge-aware multi-granular reward function incorporating an Entity Reward mechanism strictly aligned with knowledge graphs. This effectively guides the model to optimize for logical consistency rather than mere outcome matching, thereby enhancing robustness. Extensive experiments demonstrate that PathReasoner-R1 achieves state-of-the-art performance on both PathReasoner and public benchmarks across various image scales, equipping pathology models with transparent, clinically grounded reasoning capabilities. Dataset and code are available at https://github.com/cyclexfy/PathReasoner-R1.

  • 5 authors
·
Jan 29

Rethinking Molecule Synthesizability with Chain-of-Reaction

A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. There have been considerable attempts to address this problem, but given the exponentially large combinatorial space of synthesizable molecules, existing methods have shown limited coverage of the space and poor molecular optimization performance. To tackle these problems, we introduce ReaSyn, a generative framework for synthesizable projection where the model explores the neighborhood of given molecules in the synthesizable space by generating pathways that result in synthesizable analogs. To fully utilize the chemical knowledge contained in the synthetic pathways, we propose a novel perspective that views synthetic pathways akin to reasoning paths in large language models (LLMs). Specifically, inspired by chain-of-thought (CoT) reasoning in LLMs, we introduce the chain-of-reaction (CoR) notation that explicitly states reactants, reaction types, and intermediate products for each step in a pathway. With the CoR notation, ReaSyn can get dense supervision in every reaction step to explicitly learn chemical reaction rules during supervised training and perform step-by-step reasoning. In addition, to further enhance the reasoning capability of ReaSyn, we propose reinforcement learning (RL)-based finetuning and goal-directed test-time compute scaling tailored for synthesizable projection. ReaSyn achieves the highest reconstruction rate and pathway diversity in synthesizable molecule reconstruction and the highest optimization performance in synthesizable goal-directed molecular optimization, and significantly outperforms previous synthesizable projection methods in synthesizable hit expansion. These results highlight ReaSyn's superior ability to navigate combinatorially-large synthesizable chemical space.

  • 8 authors
·
Sep 19, 2025

Rethinking Cross-Layer Information Routing in Diffusion Transformers

Diffusion Transformers (DiTs) have become a de facto backbone of modern visual generation, and nearly every major axis of their design -- tokenization, attention, conditioning, objectives, and latent autoencoders -- has been extensively revisited. The residual stream that governs how information accumulates across layers, however, has been directly inherited from the original Transformer. In this paper, we present a systematic empirical analysis of cross-layer information flow in DiTs, jointly along depth and denoising timestep, and identify three concrete symptoms of traditional residual addition, namely monotonic forward magnitude inflation, sharp backward gradient decay, and pronounced block-wise redundancy. Motivated by this diagnosis, we propose Diffusion-Adaptive Routing (DAR), a drop-in residual replacement that performs learnable, timestep-adaptive, and non-incremental aggregation over the history of sublayer outputs. Moreover, the proposed DAR is compatible with many modern Transformer enhancement methods, such as REPA. On ImageNet 256times256, DAR improves SiT-XL/2 by 2.11 FID (7.56 vs.\ 9.67) and matches the baseline's converged quality with 8.75times fewer training iterations. Stacked on top of REPA, it yields a 2times training acceleration in the early stage, suggesting cross-layer information routing as an underexplored design axis in diffusion modeling, one that operates orthogonally to existing representation-alignment objectives. Beyond pretraining, DAR can also be applied during the fine-tuning stage of large-scale T2I models and preserves high-frequency details during Distribution Matching Distillation.

RTP-LLM RTP-LLM
·
May 19 6

Measuring What the Crawler Sees: Discovery Curves, Core Persistence, and Shell Dynamics in Longitudinal Web Crawls

A longitudinal web crawl is a sequence of partial samples of an evolving URL population. Pairwise containment between two crawls is the standard probe; under a simple urn model of the crawl -- each round samples a fraction of the URLs and replaces a fraction -- it recovers two interpretable rates, per-round survival α and coverage c, but treats the population as uniform and consumes one pair at a time. In this work, we define a formal language for talking about a crawl. We extend this analysis with the discovery curve U(s, T), the cumulative URL footprint over a sliding window of T crawls starting at s, which under the same urn model is also a closed-form function of (α, c). Containment and the discovery curve are then two projections of one process: independent fits agree on (α, c) when the urn is homogeneous, so any disagreement is itself a measurement. Applied to Common Crawl (2020--2025, domain granularity) and to the German Academic Web (GAW, URL granularity), the two projections disagree on both archives, and a two-component urn with a persistent core fraction κ alongside shell parameters (α_partial, c_partial) reconciles the disagreement. A residual on c_partial remains, signaling that the shell itself is not homogeneous; κ is recorded as the scalar entry point to a rank-resolved generalization, which is left to follow-up work. web archive \and crawl coverage \and discovery curve \and urn model \and two-component model \and URL lifetime

  • 3 authors
·
Jul 14

From Imitation to Refinement -- Residual RL for Precise Visual Assembly

Behavior cloning (BC) currently stands as a dominant paradigm for learning real-world visual manipulation. However, in tasks that require locally corrective behaviors like multi-part assembly, learning robust policies purely from human demonstrations remains challenging. Reinforcement learning (RL) can mitigate these limitations by allowing policies to acquire locally corrective behaviors through task reward supervision and exploration. This paper explores the use of RL fine-tuning to improve upon BC-trained policies in precise manipulation tasks. We analyze and overcome technical challenges associated with using RL to directly train policy networks that incorporate modern architectural components like diffusion models and action chunking. We propose training residual policies on top of frozen BC-trained diffusion models using standard policy gradient methods and sparse rewards, an approach we call ResiP (Residual for Precise manipulation). Our experimental results demonstrate that this residual learning framework can significantly improve success rates beyond the base BC-trained models in high-precision assembly tasks by learning corrective actions. We also show that by combining ResiP with teacher-student distillation and visual domain randomization, our method can enable learning real-world policies for robotic assembly directly from RGB images. Find videos and code at https://residual-assembly.github.io.

  • 5 authors
·
Jul 23, 2024

Measure, Don't Optimize: Forecasting Recovery in LLM Unlearning

Prior white-box studies show that large language models can retain latent traces of target knowledge after unlearning, even when the knowledge is no longer expressed in their outputs. However, existing audits remain limited to one-off diagnostics: it is unclear whether these residual signals can predict future recovery under continued training or serve as reliable optimization targets. Resolving this gap is essential to determine whether internal auditing can move beyond post-hoc evaluation toward proactive risk monitoring and safer unlearning. We propose J-Access, an inference-time audit that uses the Jacobian lens to map intermediate representations into vocabulary space and measures how often target concepts remain accessible along the model's output pathway. We hypothesize that residual accessibility reflects recovery susceptibility: knowledge that remains closer to the output pathway requires less fine-tuning to restore, leading to faster recovery. We audit 398 public unlearned models spanning eight unlearning methods. We find that: (1) most unlearned models retain access above the retain-only gold level; (2) pre-attack accessibility predicts recovery speed and extent at the model level, but cannot identify which specific facts will be recovered; and (3) directly minimizing J-Access does not promote genuine deletion. Instead, the model learns to hide knowledge from the audit, producing lower audit scores but greater post-attack recovery. These findings position J-Access as a model-level diagnostic for assessing residual susceptibility in unlearned models. We argue internal audits should serve as an independent diagnostic dimension in unlearning evaluation, and should not be converted into optimization targets without validation.

  • 11 authors
·
Aug 10

Recurrent Residual Convolutional Neural Network based on U-Net (R2U-Net) for Medical Image Segmentation

Deep learning (DL) based semantic segmentation methods have been providing state-of-the-art performance in the last few years. More specifically, these techniques have been successfully applied to medical image classification, segmentation, and detection tasks. One deep learning technique, U-Net, has become one of the most popular for these applications. In this paper, we propose a Recurrent Convolutional Neural Network (RCNN) based on U-Net as well as a Recurrent Residual Convolutional Neural Network (RRCNN) based on U-Net models, which are named RU-Net and R2U-Net respectively. The proposed models utilize the power of U-Net, Residual Network, as well as RCNN. There are several advantages of these proposed architectures for segmentation tasks. First, a residual unit helps when training deep architecture. Second, feature accumulation with recurrent residual convolutional layers ensures better feature representation for segmentation tasks. Third, it allows us to design better U-Net architecture with same number of network parameters with better performance for medical image segmentation. The proposed models are tested on three benchmark datasets such as blood vessel segmentation in retina images, skin cancer segmentation, and lung lesion segmentation. The experimental results show superior performance on segmentation tasks compared to equivalent models including U-Net and residual U-Net (ResU-Net).

  • 5 authors
·
Feb 19, 2018

Retrosynthetic Planning with Dual Value Networks

Retrosynthesis, which aims to find a route to synthesize a target molecule from commercially available starting materials, is a critical task in drug discovery and materials design. Recently, the combination of ML-based single-step reaction predictors with multi-step planners has led to promising results. However, the single-step predictors are mostly trained offline to optimize the single-step accuracy, without considering complete routes. Here, we leverage reinforcement learning (RL) to improve the single-step predictor, by using a tree-shaped MDP to optimize complete routes. Specifically, we propose a novel online training algorithm, called Planning with Dual Value Networks (PDVN), which alternates between the planning phase and updating phase. In PDVN, we construct two separate value networks to predict the synthesizability and cost of molecules, respectively. To maintain the single-step accuracy, we design a two-branch network structure for the single-step predictor. On the widely-used USPTO dataset, our PDVN algorithm improves the search success rate of existing multi-step planners (e.g., increasing the success rate from 85.79% to 98.95% for Retro*, and reducing the number of model calls by half while solving 99.47% molecules for RetroGraph). Additionally, PDVN helps find shorter synthesis routes (e.g., reducing the average route length from 5.76 to 4.83 for Retro*, and from 5.63 to 4.78 for RetroGraph).

  • 10 authors
·
Jan 31, 2023

Through the Schrödinger Bridge: Benchmarking Antemortem Image Restoration from Postmortem Autolysis to Enhance Forensic Diagnostics

Forensic histopathology, essential for determining cause of death and disease diagnosis, is severely impeded by postmortem autolysis, i.e., an irreversible, stochastic degradation process that distorts tissue morphology and introduces diagnostic subjectivity, thereby underscoring the value of restoring autolyzed images to a diagnostically plausible, pre-autolysis state for improving objectivity in forensic practice. This restoration task is fundamentally challenging due to the large, non-deterministic morphological changes caused by autolysis and the infeasibility of pixel-wise paired data, which invalidates assumptions underlying supervised and cycle/structure-consistent unpaired translation methods. To address this, we formalize forensic histopathology autolysis restoration as a new task: under unpaired supervision, transform postmortem images with severe autolysis into diagnostically meaningful ``antemortem'' representations. We contribute AutoPath, the first homologous yet unpaired dataset for this problem, constructed by splitting specimens into adjacent tissue blocks---one processed immediately, the other exposed to induce autolysis---yielding nearly ten thousand 10times patches from 69 cases with varying liver conditions. We further frame the problem as a Schrödinger Bridge between the autolyzed and non-autolyzed distributions, offering a principled approach to modeling stochastic, severe morphological degradation. Critically, we demonstrate the misalignment of generic image-level generative metrics (e.g., FID) with diagnostic utility and propose a forensically grounded, slide-level diagnostic distribution consistency evaluation. Overall, this work establishes a reproducible benchmark (encompassing task definition, a real-world dataset, and an evaluation methodology) toward rigorous and practically meaningful progress in autolysis restoration for forensic pathology.

  • 7 authors
·
Aug 21

On residual network depth

Deep residual architectures, such as ResNet and the Transformer, have enabled models of unprecedented depth, yet a formal understanding of why depth is so effective remains an open question. A popular intuition, following Veit et al. (2016), is that these residual networks behave like ensembles of many shallower models. Our key finding is an explicit analytical formula that verifies this ensemble perspective, proving that increasing network depth is mathematically equivalent to expanding the size of this implicit ensemble. Furthermore, our expansion reveals a hierarchical ensemble structure in which the combinatorial growth of computation paths leads to an explosion in the output signal, explaining the historical necessity of normalization layers in training deep models. This insight offers a first principles explanation for the historical dependence on normalization layers and sheds new light on a family of successful normalization-free techniques like SkipInit and Fixup. However, while these previous approaches infer scaling factors through optimizer analysis or a heuristic analogy to Batch Normalization, our work offers the first explanation derived directly from the network's inherent functional structure. Specifically, our Residual Expansion Theorem reveals that scaling each residual module provides a principled solution to taming the combinatorial explosion inherent to these architectures. We further show that this scaling acts as a capacity controls that also implicitly regularizes the model's complexity.

  • 2 authors
·
Oct 3, 2025

Where Pretraining writes and Alignment reads: the asymmetry of Transformer weight space

Cross-entropy pretraining and preference alignment update the same transformer weights, but leave geometrically distinct traces. We characterise this asymmetry with a relative-subspace-fraction probe that tracks how weight deltas align with residual-stream activation subspaces and with the prediction subspace defined by the unembedding. Alignment deltas concentrate in the read pathway (W_Q, W_K), along principal directions of attention-input activations, while remaining near-isotropic in the write pathway (W_O, W_2) relative to the prediction subspace. We explain this pattern through anisotropic gradient accumulation: updates to a matrix W are sums of outer products δ_t a_t^top, and inherit directional structure from whichever side has concentrated covariance. For read-pathway matrices, this side is the input activation a_t, whose covariance is spiked in trained transformers and therefore produces objective-agnostic concentration. For write-pathway matrices, the relevant side is the upstream gradient δ_t, whose anisotropy depends on the loss. Cross-entropy supplies the canonical sharp per-sample signal, inducing write-pathway prediction geometry during pretraining; alignment objectives typically add little further write-side concentration. We support this explanation with a within-checkpoint trajectory, a graded contrastive-objective control, and a closed-form rank-1 intervention with matched direction controls, providing causal evidence for the proposed weight-space geometry.

  • 3 authors
·
May 14

Leveraging Large Language Models as Knowledge-Driven Agents for Reliable Retrosynthesis Planning

Identifying reliable synthesis pathways in materials chemistry is a complex task, particularly in polymer science, due to the intricate and often non-unique nomenclature of macromolecules. To address this challenge, we propose an agent system that integrates large language models (LLMs) and knowledge graphs (KGs). By leveraging LLMs' powerful capabilities for extracting and recognizing chemical substance names, and storing the extracted data in a structured knowledge graph, our system fully automates the retrieval of relevant literatures, extraction of reaction data, database querying, construction of retrosynthetic pathway trees, further expansion through the retrieval of additional literature and recommendation of optimal reaction pathways. A novel Multi-branched Reaction Pathway Search (MBRPS) algorithm enables the exploration of all pathways, with a particular focus on multi-branched ones, helping LLMs overcome weak reasoning in multi-branched paths. This work represents the first attempt to develop a fully automated retrosynthesis planning agent tailored specially for macromolecules powered by LLMs. Applied to polyimide synthesis, our new approach constructs a retrosynthetic pathway tree with hundreds of pathways and recommends optimized routes, including both known and novel pathways, demonstrating its effectiveness and potential for broader applications.

  • 3 authors
·
Jan 15, 2025

Residual Off-Policy RL for Finetuning Behavior Cloning Policies

Recent advances in behavior cloning (BC) have enabled impressive visuomotor control policies. However, these approaches are limited by the quality of human demonstrations, the manual effort required for data collection, and the diminishing returns from increasing offline data. In comparison, reinforcement learning (RL) trains an agent through autonomous interaction with the environment and has shown remarkable success in various domains. Still, training RL policies directly on real-world robots remains challenging due to sample inefficiency, safety concerns, and the difficulty of learning from sparse rewards for long-horizon tasks, especially for high-degree-of-freedom (DoF) systems. We present a recipe that combines the benefits of BC and RL through a residual learning framework. Our approach leverages BC policies as black-box bases and learns lightweight per-step residual corrections via sample-efficient off-policy RL. We demonstrate that our method requires only sparse binary reward signals and can effectively improve manipulation policies on high-degree-of-freedom (DoF) systems in both simulation and the real world. In particular, we demonstrate, to the best of our knowledge, the first successful real-world RL training on a humanoid robot with dexterous hands. Our results demonstrate state-of-the-art performance in various vision-based tasks, pointing towards a practical pathway for deploying RL in the real world. Project website: https://residual-offpolicy-rl.github.io

  • 6 authors
·
Sep 23, 2025 3

Attention Residuals

Residual connections with PreNorm are standard in modern LLMs, yet they accumulate all layer outputs with fixed unit weights. This uniform aggregation causes uncontrolled hidden-state growth with depth, progressively diluting each layer's contribution. We propose Attention Residuals (AttnRes), which replaces this fixed accumulation with softmax attention over preceding layer outputs, allowing each layer to selectively aggregate earlier representations with learned, input-dependent weights. To address the memory and communication overhead of attending over all preceding layer outputs for large-scale model training, we introduce Block AttnRes, which partitions layers into blocks and attends over block-level representations, reducing the memory footprint while preserving most of the gains of full AttnRes. Combined with cache-based pipeline communication and a two-phase computation strategy, Block AttnRes becomes a practical drop-in replacement for standard residual connections with minimal overhead. Scaling law experiments confirm that the improvement is consistent across model sizes, and ablations validate the benefit of content-dependent depth-wise selection. We further integrate AttnRes into the Kimi Linear architecture (48B total / 3B activated parameters) and pre-train on 1.4T tokens, where AttnRes mitigates PreNorm dilution, yielding more uniform output magnitudes and gradient distribution across depth, and improves downstream performance across all evaluated tasks.

moonshotai Moonshot AI
·
Mar 16 6

Sphere Retraction Normalizations

Residual connections are the de facto mechanism for training deep neural networks stably. Geodesic Normalization (GeoNorm) recasts them on a Riemannian manifold, orthogonalizing each layer output against the current hidden state and applying the resulting update through the Riemannian exponential map. Every hidden state thus keeps a constant ell_{2}-norm, confining the residual stream to a hypersphere. The exponential map, however, is only one member of a broad family of retraction maps. We show that on the hypersphere this entire family collapses to a single scalar design choice. What distinguishes one retraction from another is only how the magnitude of an update is converted into a rotation angle within the plane spanned by the hidden state and the update. This view places Euclidean residual connections and GeoNorm in one framework. Instantiating it with the metric projection retraction and the Cayley retraction yields Proj-SpheretNorm and Cay-SpheretNorm, which are exactly norm-preserving yet require only algebraic operations. Both prove to be members of a one-parameter family of angular retractions, p-SpheretNorm, whose rotation angle saturates rather than growing without bound. The two methods above are recovered exactly at p = 1 and p = 2, while the identity map and GeoNorm arise only as limits at either end. On nanoGPT, all three methods outperform existing lightweight deep connection schemes, and the best validation loss is attained at finite p, indicating that the exponential map is not the preferred retraction for spherical residual streams but merely one end of a spectrum.

  • 4 authors
·
Aug 1

Residual Feature Integration is Sufficient to Prevent Negative Transfer

Transfer learning has become a central paradigm in modern machine learning, yet it suffers from the long-standing problem of negative transfer, where leveraging source representations can harm rather than help performance on the target task. Although empirical remedies have been proposed, there remains little theoretical understanding of how to reliably avoid negative transfer. In this paper, we investigate a simple yet remarkably effective strategy: augmenting frozen, pretrained source-side features with a trainable target-side encoder that adapts target features to capture residual signals overlooked by models pretrained on the source data. We show this residual feature integration strategy is sufficient to provably prevent negative transfer, by establishing theoretical guarantees that it has no worse convergence rate than training from scratch under the informative class of target distributions up to logarithmic factors, and that the convergence rate can transition seamlessly from nonparametric to near-parametric when source representations are informative. To our knowledge, this is the first theoretical work that ensures protection against negative transfer. We carry out extensive numerical experiments across image, text and tabular benchmarks, and empirically verify that the method consistently safeguards performance under distribution shift, label noise, semantic perturbation, and class imbalance. We additionally demonstrate that this residual integration mechanism uniquely supports adapt-time multimodality extension, enabling a pretrained single-cell foundation model to incorporate spatial signals for lymph-node anatomical classification despite the source model being trained without them. Our study thus advances the theory of safe transfer learning, and provides a principled approach that is simple, robust, architecture-agnostic, and broadly applicable.

  • 4 authors
·
Feb 13

Risk-Set Transported Synthetic Control with Difference-in-Differences Adjustment under Staggered Treatment Adoption

In staggered treatment-adoption designs, later-treated units are valid controls for an earlier-treated cohort only until their own treatment begins, so the admissible donor set contracts with event time. Fixing the donor pool at the longest horizon discards temporarily eligible donors, whereas re-estimating synthetic-control weights independently at each horizon can make the counterfactual unstable as donor composition changes. We propose Risk-Set Transported Synthetic Control with Difference-in-Differences Adjustment (RT-SC-DiD). For each cohort and event-time horizon, the estimator fits weights on the currently untreated donors while shrinking them toward a transported reference that reallocates the weight of exiting donors to similar surviving donors. A DiD baseline correction removes persistent level differences. We characterize distortion from horizon-by-horizon reoptimization, derive the loading change induced by naive deletion and renormalization, and give a conditional recursive bound for error propagation under an explicitly assumed regularity condition on the transport map. We also introduce donor-support diagnostics and a donor-only placebo procedure for selecting the transport penalty. In an 80-replication pilot comparison and a separate 40-replication-per-value sensitivity analysis, intermediate transport regularization reduces average RMSE relative to independent horizon-specific estimation and strong anchoring. This evidence supports the method's bias-variance motivation but is not a proved guarantee. RT-SC-DiD is intended for settings where later-treated units provide useful short-horizon information and donor support contracts materially over time. Existing staggered synthetic-control and synthetic difference-in-differences methods do not, to our knowledge, explicitly regularize within-cohort weight sequences toward transported references as risk sets contract.

  • 1 authors
·
Jul 28

RRWNet: Recursive Refinement Network for effective retinal artery/vein segmentation and classification

The caliber and configuration of retinal blood vessels serve as important biomarkers for various diseases and medical conditions. A thorough analysis of the retinal vasculature requires the segmentation of the blood vessels and their classification into arteries and veins, typically performed on color fundus images obtained by retinography. However, manually performing these tasks is labor-intensive and prone to human error. While several automated methods have been proposed to address this task, the current state of art faces challenges due to manifest classification errors affecting the topological consistency of segmentation maps. In this work, we introduce RRWNet, a novel end-to-end deep learning framework that addresses this limitation. The framework consists of a fully convolutional neural network that recursively refines semantic segmentation maps, correcting manifest classification errors and thus improving topological consistency. In particular, RRWNet is composed of two specialized subnetworks: a Base subnetwork that generates base segmentation maps from the input images, and a Recursive Refinement subnetwork that iteratively and recursively improves these maps. Evaluation on three different public datasets demonstrates the state-of-the-art performance of the proposed method, yielding more topologically consistent segmentation maps with fewer manifest classification errors than existing approaches. In addition, the Recursive Refinement module within RRWNet proves effective in post-processing segmentation maps from other methods, further demonstrating its potential. The model code, weights, and predictions will be publicly available at https://github.com/j-morano/rrwnet.

  • 3 authors
·
Feb 5, 2024

ReLi3D: Relightable Multi-view 3D Reconstruction with Disentangled Illumination

Reconstructing 3D assets from images has long required separate pipelines for geometry reconstruction, material estimation, and illumination recovery, each with distinct limitations and computational overhead. We present ReLi3D, the first unified end-to-end pipeline that simultaneously reconstructs complete 3D geometry, spatially-varying physically-based materials, and environment illumination from sparse multi-view images in under one second. Our key insight is that multi-view constraints can dramatically improve material and illumination disentanglement, a problem that remains fundamentally ill-posed for single-image methods. Key to our approach is the fusion of the multi-view input via a transformer cross-conditioning architecture, followed by a novel unified two-path prediction strategy. The first path predicts the object's structure and appearance, while the second path predicts the environment illumination from image background or object reflections. This, combined with a differentiable Monte Carlo multiple importance sampling renderer, creates an optimal illumination disentanglement training pipeline. In addition, with our mixed domain training protocol, which combines synthetic PBR datasets with real-world RGB captures, we establish generalizable results in geometry, material accuracy, and illumination quality. By unifying previously separate reconstruction tasks into a single feed-forward pass, we enable near-instantaneous generation of complete, relightable 3D assets. Project Page: https://reli3d.jdihlmann.com/

Think Before You Paint: Recursive Latent Reasoning for Diffusion Models

Diffusion models generate realistic images but often fail on visual reasoning tasks, such as filling in a Sudoku or drawing the path through a maze. When a discrete symbolic representation is available, recursive methods such as the Tiny Recursive Model (TRM) solve even hard instances of these puzzles. We ask how such reasoning can be carried over to pixels, where no symbolic representation is available. We propose Painter-Thinker (PaTh): a small recursive network (the Thinker) reasons over a grid of learned tokens that encode the noisy image and the conditioning, refines a latent state within every denoising step, and steers a frozen diffusion model (the Painter) through ControlNet adapters. The Thinker is trained with the standard reconstruction loss alone, without symbolic targets, a solver, or a verifier. PaTh solves 92.5% of hard MNIST Sudoku puzzles (prior best 75%) and 71.2% of extreme ones (prior best 4.1%), with 10M parameters against 82M for a standard diffusion model. It also improves on mazes, Queens, and CLEVR scenes with specified spatial relations, and its advantage grows with problem size. Diagnostic experiments show that PaTh recovers from injected mistakes that the diffusion model cannot repair, especially when many cells are wrong. Together, these results show that reasoning mechanisms developed for symbolic data can be integrated into pixel-space diffusion without symbolic supervision, opening a path toward generating data under increasingly complex constraints.

  • 5 authors
·
Oct 6

PASs-MoE: Mitigating Misaligned Co-drift among Router and Experts via Pathway Activation Subspaces for Continual Learning

Continual instruction tuning (CIT) requires multimodal large language models (MLLMs) to adapt to a stream of tasks without forgetting prior capabilities. A common strategy is to isolate updates by routing inputs to different LoRA experts. However, existing LoRA-based Mixture-of-Experts (MoE) methods often jointly update the router and experts in an indiscriminate way, causing the router's preferences to co-drift with experts' adaptation pathways and gradually deviate from early-stage input--expert specialization. We term this as Misaligned Co-drift, which blurs expert responsibilities and exacerbates forgetting. To address this, we introduce the pathway activation subspace (PASs), a LoRA-induced subspace that reflects which low-rank pathway directions an input activates in each expert, providing a capability-aligned coordinate system for routing and preservation. Based on PASs, we propose a fixed-capacity PASs-based MoE--LoRA method with two components: PAS-guided Reweighting, which calibrates routing using each expert's pathway activation signals, and PAS-aware Rank Stabilization, which selectively stabilizes rank directions important to previous tasks. Experiments on a CIT benchmark show that our approach consistently outperforms a range of conventional continual learning baselines and MoE--LoRA variants in both accuracy and resistance to forgetting, without increasing model parameters. Our code is publicly available at https://github.com/yueluoshuangtian/PASs-MoE.

  • 6 authors
·
Jul 16

PAST-Bench: Benchmarking the Foundations of Recursive Self-Improvement in Personal Agents

Recursive self-improvement requires agents to turn accumulated experience into better future behavior. Personal AI agents offer a concrete setting for studying this capability because they retain preferences, task histories, tool routines, and learned skills across sessions. Yet whether retained experience actually improves them over time has not been systematically tested. We introduce PAST-Bench, a benchmark designed to isolate this question. Each agent runs through ordered sequences of fresh-session tasks under matched conditions that turn retained experience on and off. It spans 26 scenarios and 204 episodes across memory, procedural reuse, information gathering, and update. We report both later-task gains and whether those gains follow the intended save, retrieve, and update pathway. Across seven base models and four agent frameworks, improvement is real but uneven across capabilities. Agents with the same headline gain can differ markedly in whether that gain is supported by evidence of the intended pathway. Guided by these findings, we develop Hermes+, which extends Hermes with five targeted interventions across stages of the agent loop. Hermes+ raises the average gain from retained experience and provides clearer pathway evidence, with its strongest improvement on tasks requiring outdated state to be replaced, although the effect remains capability- and model-dependent. Together, PAST-Bench and Hermes+ provide an evaluation and diagnostic foundation for studying how persistent agents can progress from retaining experience to systematically improving through it. Code: https://github.com/Gen-Verse/PAST-Bench

Generating Drug Repurposing Hypotheses through the Combination of Disease-Specific Hypergraphs

The drug development pipeline for a new compound can last 10-20 years and cost over 10 billion. Drug repurposing offers a more time- and cost-effective alternative. Computational approaches based on biomedical knowledge graph representations have recently yielded new drug repurposing hypotheses. In this study, we present a novel, disease-specific hypergraph representation learning technique to derive contextual embeddings of biological pathways of various lengths but that all start at any given drug and all end at the disease of interest. Further, we extend this method to multi-disease hypergraphs. To determine the repurposing potential of each of the 1,522 drugs, we derive drug-specific distributions of cosine similarity values and ultimately consider the median for ranking. Cosine similarity values are computed between (1) all biological pathways starting at the considered drug and ending at the disease of interest and (2) all biological pathways starting at drugs currently prescribed against that disease and ending at the disease of interest. We illustrate our approach with Alzheimer's disease (AD) and two of its risk factors: hypertension (HTN) and type 2 diabetes (T2D). We compare each drug's rank across four hypergraph settings (single- or multi-disease): AD only, AD + HTN, AD + T2D, and AD + HTN + T2D. Notably, our framework led to the identification of two promising drugs whose repurposing potential was significantly higher in hypergraphs combining two diseases: dapagliflozin (antidiabetic; moved up, from top 32% to top 7%, across all considered drugs) and debrisoquine (antihypertensive; moved up, from top 76% to top 23%). Our approach serves as a hypothesis generation tool, to be paired with a validation pipeline relying on laboratory experiments and semi-automated parsing of the biomedical literature.

  • 5 authors
·
Nov 16, 2023

Circuit Hypernetworks for Quantum-Augmented Diffusion Language Models

Language models can be adapted by changing the computations applied to individual tokens. Quantum circuits offer one such approach, but evaluating wider circuits inside a large model can be computationally demanding. Here we introduce HyperQ, which adds token-conditioned quantum residual branches to a frozen masked-diffusion language model. A quantum residual branch is a module in each transformer block that reads a token's hidden state, emits the coordinates of that token's circuit, executes it, and adds the measured values back through a residual connection. The backbone remains frozen, and only the added branches are trained. Within each branch, a lightweight circuit hypernetwork emits token-specific rotation angles, coupling strengths, and measurement axes in a shared sparse circuit structure. The required expectation values have an exact classical expression whose evaluation cost grows linearly with the qubit count, enabling circuits from 16 to 64 qubits to be trained within a 1.1-billion-parameter backbone. Across downstream benchmarks, increasing circuit width raises the average score from 47.65 to 54.30. At 64 qubits, HyperQ exceeds the backbone and its low-rank-adapted counterpart by 4.71 and 3.67 points, respectively. HyperQ is fine-tuned on 20,000 prompt-response pairs, compared with 200,000 for the classical baselines. These findings support token-conditioned circuit emission as a tractable architectural approach to quantum-augmented language modelling.

Multi-Head Attention Residuals

Transformers propagate information across depth through a single additive residual stream: every sublayer reads only the most recent state. Attention residuals relax this by letting each sublayer attend, through a learned softmax. However, that read uses a single query shared across the entire width, so every feature subspace must read the depth history through one distribution. The cost of this forced compromise grows with how much the subspaces disagree about which layers to read, and disagreement grows with model width. We introduce Multi-Head Attention Residuals (MHAR): the routing query is reshaped into H per-subspace heads, each with its own softmax over the depth history. The read becomes block-diagonal, the reshape adds zero parameters and negligible compute, and H = 1 recovers attention residuals exactly. Trained from scratch on a deduplicated Nemotron-based anneal corpus that is quality-filtered and STEM- and code-heavy, MHAR improves validation loss over a standard Transformer at 100M, 350M, and 1B (-0.061, -0.149, and -0.140). It achieves the best result among four methods in every setting, with the gain increasing from 100M to the larger scales. The head count is a real design axis rather than a free knob: validation loss is U-shaped with respect to H, with a flat optimum at H = 4 or H = 8 across scales. We adopt H = 8 for large-scale models; over-splitting beyond this point (H = 16) consistently gives back part of the gain. A direct probe of the trained queries confirms that learned subspace disagreement is the underlying driver. Fused Triton routing kernels increase attention-residual training throughput from 0.2-0.5x to 0.55-0.88x of the baseline while maintaining near-baseline peak memory. An identity-preserving conversion using delta attention residuals supports 8B mid-training, yielding improvements of +3.2 on GSM8K and +3.1 on GPQA.

  • 3 authors
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Jul 21 3

Routing Drift Alone Does Not Diagnose Failure in Merged MoE LLMs

Model merging efficiently combines specialized large language models (LLMs) without joint retraining, but can substantially alter expert routing in Mixture-of-Experts (MoE) models. Such routing drift is often interpreted as routing failure, raising a fundamental question that remains unclear: does routing drift after MoE merging actually indicate routing failure, and what evidence should justify repair? We investigate these questions across DeepSeekMoE, OLMoE, and Qwen3-MoE proposing a routing analysis toolkit for controlled counterfactual interventions and token-level analysis. By crossing source and merged router inputs and parameters, we attribute most expert reassignments to input shifts rather than parameter changes at the same layer. However, source-relative routing differences poorly predict next-token likelihood gains from source-route restoration, and different expert selections can produce directionally similar mixture outputs. We therefore operationalize routing failure as task loss recoverable under a specified routing intervention, with non-routing parameters fixed. These tests detect recoverable loss under deliberate router corruption, whereas source-route restoration does not establish reliable task benefits in the evaluated merged models. Motivated by these, we propose Selective Router Repair (SRR) as a case study, and find that source-specialist token-likelihood advantages do not reliably identify beneficial local corrections. Together, these findings show that routing drift alone is insufficient evidence of routing failure: source-informed corrections must be judged by their task-level intervention effects. The analysis toolkit and SRR code are released.

VersatileFFN: Achieving Parameter Efficiency in LLMs via Adaptive Wide-and-Deep Reuse

The rapid scaling of Large Language Models (LLMs) has achieved remarkable performance, but it also leads to prohibitive memory costs. Existing parameter-efficient approaches such as pruning and quantization mainly compress pretrained models without enhancing architectural capacity, thereby hitting the representational ceiling of the base model. In this work, we propose VersatileFFN, a novel feed-forward network (FFN) that enables flexible reuse of parameters in both width and depth dimensions within a fixed parameter budget. Inspired by the dual-process theory of cognition, VersatileFFN comprises two adaptive pathways: a width-versatile path that generates a mixture of sub-experts from a single shared FFN, mimicking sparse expert routing without increasing parameters, and a depth-versatile path that recursively applies the same FFN to emulate deeper processing for complex tokens. A difficulty-aware gating dynamically balances the two pathways, steering "easy" tokens through the efficient width-wise route and allocating deeper iterative refinement to "hard" tokens. Crucially, both pathways reuse the same parameters, so all additional capacity comes from computation rather than memory. Experiments across diverse benchmarks and model scales demonstrate the effectiveness of the method. The code will be available at https://github.com/huawei-noah/noah-research/tree/master/VersatileFFN.

huawei-noah HUAWEI Noah's Ark Lab
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Dec 16, 2025 2

VITAL: From Visual Motion to Precise Action

World-action models aim to turn visual anticipation into driving decisions, yet typically train action experts on trajectory representations defined independently of visual dynamics. This motivates deriving action targets directly from visual motion. We first examine a simpler setting in which trajectories are reconstructed from recorded future images. Even without the need for future prediction, reconstruction captures the dominant maneuver but leaves centimeter-scale errors. We therefore introduce VITAL (Vision-Induced Tokens for Action Learning), an action tokenizer that couples a visually derived motion scaffold with a compact residual encoding the trajectory error left by that scaffold. This representation makes visual motion the principal prediction target and gives small metric corrections a separate, normalized learning scale. Using flow matching, the action expert jointly predicts both components from the current image, ego state, and navigation command, without generating future images at inference. The same residual coordinates support bounded reinforcement post-training that refines execution while keeping the predicted visual scaffold fixed. With only one action denoising step, VITAL achieves 90.8 PDMS on NAVSIM v1 navtest, within 0.13 points of its ten-step score at 3.29x the end-to-end inference speed. Without retraining, it achieves 91.1 EPDMS on NAVSIM v2 navtest and 38.6 on navhard. Project page: https://worldbench.github.io/vital

Graph-Based Self-Healing Tool Routing for Cost-Efficient LLM Agents

Tool-using LLM agents face a reliability-cost tradeoff: routing every decision through the LLM improves correctness but incurs high latency and inference cost, while pre-coded workflow graphs reduce cost but become brittle under unanticipated compound tool failures. We present Self-Healing Router, a fault-tolerant orchestration architecture that treats most agent control-flow decisions as routing rather than reasoning. The system combines (i) parallel health monitors that assign priority scores to runtime conditions such as tool outages and risk signals, and (ii) a cost-weighted tool graph where Dijkstra's algorithm performs deterministic shortest-path routing. When a tool fails mid-execution, its edges are reweighted to infinity and the path is recomputed -- yielding automatic recovery without invoking the LLM. The LLM is reserved exclusively for cases where no feasible path exists, enabling goal demotion or escalation. Prior graph-based tool-use systems (ControlLLM, ToolNet, NaviAgent) focus on tool selection and planning; our contribution is runtime fault tolerance with deterministic recovery and binary observability -- every failure is either a logged reroute or an explicit escalation, never a silent skip. Across 19 scenarios spanning three graph topologies (linear pipeline, dependency DAG, parallel fan-out), Self-Healing Router matches ReAct's correctness while reducing control-plane LLM calls by 93% (9 vs 123 aggregate) and eliminating the silent-failure cases observed in a well-engineered static workflow baseline under compound failures.

  • 1 authors
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Mar 2

Unleashing Scientific Reasoning for Bio-experimental Protocol Generation via Structured Component-based Reward Mechanism

The foundation of reproducible science lies in protocols that are precise, logically ordered, and executable. The autonomous generation of these protocols through natural language queries could greatly improve the efficiency of the reproduction process. However, current leading large language models (LLMs) often generate incomplete or inconsistent protocols, limiting their utility. To address this limitation, we first introduce SciRecipe, a large-scale dataset of over 12K structured protocols spanning 27 biological subfields and encompassing both comprehension and problem-solving tasks. To further improve protocol generation, we propose the "Sketch-and-Fill" paradigm, which separates analysis, structuring, and expression to ensure each step is explicit and verifiable. Complementing this, the structured component-based reward mechanism evaluates step granularity, action order, and semantic fidelity, aligning model optimization with experimental reliability. Building on these components, we develop Thoth, trained through a staged Knowledge-to-Action process that progresses from knowledge acquisition to operational reasoning and ultimately to robust, executable protocol generation. Across multiple benchmarks, Thoth consistently surpasses both proprietary and open-source LLMs, achieving significant improvements in step alignment, logical sequencing, and semantic accuracy. Our approach paves the way for reliable scientific assistants that bridge knowledge with experimental execution. All data, code, and models will be released publicly.

  • 11 authors
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Oct 17, 2025 2

SCORE: Replacing Layer Stacking with Contractive Recurrent Depth

Residual connections are central to modern deep neural networks, enabling stable optimization and efficient information flow across depth. In this work, we propose SCORE (Skip-Connection ODE Recurrent Embedding), a discrete recurrent alternative to classical layer stacking. Instead of composing multiple independent layers, SCORE iteratively applies a single shared neural block using an ODE (Ordinary Differential Equation)-inspired contractive update: ht+1 = (1 - dt) * ht + dt * F(ht) This formulation can be interpreted as a depth-by-iteration refinement process, where the step size dt explicitly controls stability and update magnitude. Unlike continuous Neural ODE approaches, SCORE uses a fixed number of discrete iterations and standard backpropagation without requiring ODE solvers or adjoint methods. We evaluate SCORE across graph neural networks (ESOL molecular solubility), multilayer perceptrons, and Transformer-based language models (nanoGPT). Across architectures, SCORE generally improves convergence speed and often accelerates training. SCORE is reducing parameter count through shared weights. In practice, simple Euler integration provides the best trade-off between computational cost and performance, while higher-order integrators yield marginal gains at increased compute. These results suggest that controlled recurrent depth with contractive residual updates offers a lightweight and effective alternative to classical stacking in deep neural networks.

  • 1 authors
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Mar 11

Make Deep Networks Shallow Again

Deep neural networks have a good success record and are thus viewed as the best architecture choice for complex applications. Their main shortcoming has been, for a long time, the vanishing gradient which prevented the numerical optimization algorithms from acceptable convergence. A breakthrough has been achieved by the concept of residual connections -- an identity mapping parallel to a conventional layer. This concept is applicable to stacks of layers of the same dimension and substantially alleviates the vanishing gradient problem. A stack of residual connection layers can be expressed as an expansion of terms similar to the Taylor expansion. This expansion suggests the possibility of truncating the higher-order terms and receiving an architecture consisting of a single broad layer composed of all initially stacked layers in parallel. In other words, a sequential deep architecture is substituted by a parallel shallow one. Prompted by this theory, we investigated the performance capabilities of the parallel architecture in comparison to the sequential one. The computer vision datasets MNIST and CIFAR10 were used to train both architectures for a total of 6912 combinations of varying numbers of convolutional layers, numbers of filters, kernel sizes, and other meta parameters. Our findings demonstrate a surprising equivalence between the deep (sequential) and shallow (parallel) architectures. Both layouts produced similar results in terms of training and validation set loss. This discovery implies that a wide, shallow architecture can potentially replace a deep network without sacrificing performance. Such substitution has the potential to simplify network architectures, improve optimization efficiency, and accelerate the training process.

  • 3 authors
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Sep 15, 2023

ReRound: Reconstructive Rounding to Resolve Midpoint Ambiguity in Calibration-Free LLM Quantization

ReRound (Reconstructive Rounding) is a post-training quantization method that addresses the midpoint ambiguity inherent in standard round-to-nearest (RTN) schemes when quantizing weights near the centers of quantization intervals. Starting from a pretrained LLM, ReRound trains a conditional diffusion model to produce continuous reconstructions of low-bit weights for the LLM. These reconstructed weights act as a guidance signal to disambiguate the rounding direction of weights located close to interval midpoints. To integrate this reconstruction-guided rounding with conventional RTN, ReRound introduces a tolerance metric measuring how far the quantized weight (not the final quantized integer) is away from the midpoint: quantized weights within a tolerance region around midpoints are quantized using diffusion-based reconstructions, whereas weights closer to quantization boundaries are quantized with RTN. By sweeping the tolerance parameter, ReRound generates multiple candidate quantized integer weight matrices and selects the de-quantized weight matrix candidate whose leading singular values most closely match those of the original full-precision weights. This selected candidate determines the tolerance parameter ReRound uses. ReRound is particularly effective for smaller LLMs. Across a range of such models, it consistently outperforms standard RTN for 3-bit and 4-bit weight quantization. ReRound achieves superior accuracy compared to an extensive set of calibration-free methods, remains competitive with calibration-dependent approaches, and operates entirely offline, introducing no additional overhead during low-bit inference. The ReRound strategy represents a new approach for low-bit quantization. The method applies to AI models beyond LLMs. This paper focuses on its applications to small LLMs.

Model-Aware Schedules Improve Generation via Fiberwise Optimal Transport

Diffusion and flow-matching schedules control the signal and noise coefficients that mix data and noise along affine probability paths. Minimizing a kinetic action defined on coefficient paths, motivated by optimal transport, helps explain strong baselines but remains model-agnostic and ignores prediction error. Here we introduce a model-aware schedule construction based on fiberwise optimal transport. At a fixed time and state on the probability path, compatible signal/noise decompositions form an affine fiber. We define a fiberwise prediction risk by averaging optimal-transport costs between the true and predictor-induced decompositions within these fibers. On a fixed coefficient curve, combining this risk with coefficient-path kinetic action yields a closed-form optimal time allocation. This construction extends to general linear prediction targets, and the risk profile can be estimated from an early baseline checkpoint. We evaluate DDPMs and flow matching across prediction targets, training configurations, risk-estimation checkpoints, datasets, and architectures. Our model-aware schedules consistently outperform strong baselines, including a 38.6% relative FID reduction for flow matching on CIFAR-10 at 16 function evaluations. Each model-agnostic kinetic baseline determines its own kinetic reference coordinate. In these coordinates, fiberwise-risk profiles from independently trained models in different settings align closely after normalization to unit area. The resulting schedule deformations used in training also align, suggesting empirical universality across the evaluated models and settings. Pretrained-checkpoint diagnostics extend this normalized-risk agreement to larger conditional latent diffusion and 2-RF models. A frozen analytic allocation template retains most of the model-aware improvement without further risk estimation or model-specific fitting.

  • 4 authors
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Sep 9

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

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

  • 6 authors
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May 19 1

VISTA-PATH: An interactive foundation model for pathology image segmentation and quantitative analysis in computational pathology

Accurate semantic segmentation for histopathology image is crucial for quantitative tissue analysis and downstream clinical modeling. Recent segmentation foundation models have improved generalization through large-scale pretraining, yet remain poorly aligned with pathology because they treat segmentation as a static visual prediction task. Here we present VISTA-PATH, an interactive, class-aware pathology segmentation foundation model designed to resolve heterogeneous structures, incorporate expert feedback, and produce pixel-level segmentation that are directly meaningful for clinical interpretation. VISTA-PATH jointly conditions segmentation on visual context, semantic tissue descriptions, and optional expert-provided spatial prompts, enabling precise multi-class segmentation across heterogeneous pathology images. To support this paradigm, we curate VISTA-PATH Data, a large-scale pathology segmentation corpus comprising over 1.6 million image-mask-text triplets spanning 9 organs and 93 tissue classes. Across extensive held-out and external benchmarks, VISTA-PATH consistently outperforms existing segmentation foundation models. Importantly, VISTA-PATH supports dynamic human-in-the-loop refinement by propagating sparse, patch-level bounding-box annotation feedback into whole-slide segmentation. Finally, we show that the high-fidelity, class-aware segmentation produced by VISTA-PATH is a preferred model for computational pathology. It improve tissue microenvironment analysis through proposed Tumor Interaction Score (TIS), which exhibits strong and significant associations with patient survival. Together, these results establish VISTA-PATH as a foundation model that elevates pathology image segmentation from a static prediction to an interactive and clinically grounded representation for digital pathology. Source code and demo can be found at https://github.com/zhihuanglab/VISTA-PATH.

zhihuanglab Zhi Huang Lab
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Jan 23 3

ResQuNNs: Towards Enabling Deep Learning in Quantum Convolution Neural Networks

In this paper, we present a novel framework for enhancing the performance of Quanvolutional Neural Networks (QuNNs) by introducing trainable quanvolutional layers and addressing the critical challenges associated with them. Traditional quanvolutional layers, although beneficial for feature extraction, have largely been static, offering limited adaptability. Unlike state-of-the-art, our research overcomes this limitation by enabling training within these layers, significantly increasing the flexibility and potential of QuNNs. However, the introduction of multiple trainable quanvolutional layers induces complexities in gradient-based optimization, primarily due to the difficulty in accessing gradients across these layers. To resolve this, we propose a novel architecture, Residual Quanvolutional Neural Networks (ResQuNNs), leveraging the concept of residual learning, which facilitates the flow of gradients by adding skip connections between layers. By inserting residual blocks between quanvolutional layers, we ensure enhanced gradient access throughout the network, leading to improved training performance. Moreover, we provide empirical evidence on the strategic placement of these residual blocks within QuNNs. Through extensive experimentation, we identify an efficient configuration of residual blocks, which enables gradients across all the layers in the network that eventually results in efficient training. Our findings suggest that the precise location of residual blocks plays a crucial role in maximizing the performance gains in QuNNs. Our results mark a substantial step forward in the evolution of quantum deep learning, offering new avenues for both theoretical development and practical quantum computing applications.

  • 2 authors
·
Jul 6, 2025

SFT or RL? An Early Investigation into Training R1-Like Reasoning Large Vision-Language Models

This work revisits the dominant supervised fine-tuning (SFT) then reinforcement learning (RL) paradigm for training Large Vision-Language Models (LVLMs), and reveals a key finding: SFT can significantly undermine subsequent RL by inducing ``pseudo reasoning paths'' imitated from expert models. While these paths may resemble the native reasoning paths of RL models, they often involve prolonged, hesitant, less informative steps, and incorrect reasoning. To systematically study this effect, we introduce VLAA-Thinking, a new multimodal dataset designed to support reasoning in LVLMs. Constructed via a six-step pipeline involving captioning, reasoning distillation, answer rewrite and verification, VLAA-Thinking comprises high-quality, step-by-step visual reasoning traces for SFT, along with a more challenging RL split from the same data source. Using this dataset, we conduct extensive experiments comparing SFT, RL and their combinations. Results show that while SFT helps models learn reasoning formats, it often locks aligned models into imitative, rigid reasoning modes that impede further learning. In contrast, building on the Group Relative Policy Optimization (GRPO) with a novel mixed reward module integrating both perception and cognition signals, our RL approach fosters more genuine, adaptive reasoning behavior. Notably, our model VLAA-Thinker, based on Qwen2.5VL 3B, achieves top-1 performance on Open LMM Reasoning Leaderboard (https://huggingface.co/spaces/opencompass/Open_LMM_Reasoning_Leaderboard) among 4B scale LVLMs, surpassing the previous state-of-the-art by 1.8%. We hope our findings provide valuable insights in developing reasoning-capable LVLMs and can inform future research in this area.

  • 8 authors
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Apr 10, 2025 2