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Jianwen Xie

Publications and source records attributed to Jianwen Xie.

At least 37 records · Page 2Linked to original sources
arXiv2026

Beyond Semantic Similarity: Rethinking Retrieval for Agentic Search via Direct Corpus Interaction

Modern retrieval systems, whether lexical or semantic, expose a corpus through a fixed similarity interface that compresses access into a single top-k retrieval step before reasoning. This abstraction is efficient, but for agentic search, it becomes a bottleneck: exact lexical constraints, sparse clue conjunctions, local context checks, and multi-step hypothesis refinement are difficult to implement by calling a conventional off-the-shelf retriever, and evidence filtered out early cannot be recovered by stronger downstream reasoning. Agentic tasks further exacerbate this limitation because they require agents to orchestrate multiple steps, including discovering intermediate entities, combining weak clues, and revising the plan after observing partial evidence. To tackle the limitation, we study direct corpus interaction (DCI), where an agent searches the raw corpus directly with general-purpose terminal tools (e.g., grep, file reads, shell commands, lightweight scripts), without any embedding model, vector index, or retrieval API. This approach requires no offline indexing and adapts naturally to evolving local corpora. Across IR benchmarks and end-to-end agentic search tasks, this simple setup substantially outperforms strong sparse, dense, and reranking baselines on several BRIGHT and BEIR datasets, and attains strong accuracy on BrowseComp-Plus and multi-hop QA without relying on any conventional semantic retriever. Our results indicate that as language agents become stronger, retrieval quality depends not only on reasoning ability but also on the resolution of the interface through which the model interacts with the corpus, with which DCI opens a broader interface-design space for agentic search.

cs.IR↗
arXiv2026

"Noisier" Noise Contrastive Eestimation is (Almost) Maximum Likelihood

Noise Contrastive Estimation (NCE) has fueled major breakthroughs in representation learning and generative modeling. Yet a long-standing challenge remains: accurately estimating ratios between distributions that differ substantially, which significantly limits the applicability of NCE on modern high-dimensional and multimodal datasets. We revisit this problem from a less explored perspective: the magnitude of the noise distribution. Specifically, we show that with a virtually scaled (\ie, artificially increased) noise magnitude, the gradient of the NCE objective can closely align with that of Maximum Likelihood, enabling a trajectory-wise approximation from NCE to MLE, and faster convergence both theoretically and empirically. Building on this insight, we introduce ``Noisier'' NCE, a simple drop-in modification to vanilla NCE that incurs little to no extra computational cost, while effectively handling density-ratio estimation in challenging regimes where traditional MLE and NCE struggle. Beyond improving classical density-ratio learning, ``Noisier'' NCE proves broadly applicable: it achieves strong results across image modeling, anomaly detection, and offline black-box optimization. On CIFAR-10 and ImageNet64x64 datasets, it yields 10-step and even 1-step samplers that match or surpass state-of-the-art methods, while cutting training iterations by up to half.

cs.LG↗
arXiv2026

Randomized Antipodal Search Done Right for Data Pareto Improvement of LLM Unlearning

Large language models (LLMs) sometimes memorize undesirable knowledge, which must be removed after deployment. Prior work on machine unlearning has focused largely on optimization methods that adjust parameters to enforce forgetting while preserving retention. However, these approaches assume that the forget and retain sets are readily available, which rarely holds in practice. Unlearning is typically triggered by an undesired generation at inference time, making the retrieval of relevant data the central challenge. We introduce the notion of data Pareto improvement for LLM unlearning, which formalizes how retrieval can expand the achievable trade-off frontier between forgetting and retention. To realize this principle, we propose Randomized Antipodal Search on Linearized Influence Kernel (RASLIK), a retrieval algorithm that combines permutation-projection hashing with randomized antipodal search. RASLIK reduces selection variance, achieves sublinear complexity, and yields a double gain in both quality and efficiency. Across multiple models, datasets, and unlearning algorithms, RASLIK consistently outperforms deterministic baselines and even oracle sampling, establishing randomized search as a principled and scalable solution for data-centric unlearning.

cs.LG↗
arXiv2026

ReviewGrounder: Improving Review Substantiveness with Rubric-Guided, Tool-Integrated Agents

The rapid rise in AI conference submissions has driven increasing exploration of large language models (LLMs) for peer review support. However, LLM-based reviewers often generate superficial, formulaic comments lacking substantive, evidence-grounded feedback. We attribute this to the underutilization of two key components of human reviewing: explicit rubrics and contextual grounding in existing work. To address this, we introduce REVIEWBENCH, a benchmark evaluating review text according to paper-specific rubrics derived from official guidelines, the paper's content, and human-written reviews. We further propose REVIEWGROUNDER, a rubric-guided, tool-integrated multi-agent framework that decomposes reviewing into drafting and grounding stages, enriching shallow drafts via targeted evidence consolidation. Experiments on REVIEWBENCH show that REVIEWGROUNDER, using a Phi-4-14B-based drafter and a GPT-OSS-120B-based grounding stage, consistently outperforms baselines with substantially stronger/larger backbones (e.g., GPT-4.1 and DeepSeek-R1-670B) in both alignment with human judgments and rubric-based review quality across 8 dimensions. The code is available \href{https://github.com/EigenTom/ReviewGrounder}{here}.

cs.CL↗
arXiv2026

Align Your Structures: Generating Trajectories with Structure Pretraining for Molecular Dynamics

Generating molecular dynamics (MD) trajectories using deep generative models has attracted increasing attention, yet remains inherently challenging due to the limited availability of MD data and the complexities involved in modeling high-dimensional MD distributions. To overcome these challenges, we propose a novel framework that leverages structure pretraining for MD trajectory generation. Specifically, we first train a diffusion-based structure generation model on a large-scale conformer dataset, on top of which we introduce an interpolator module trained on MD trajectory data, designed to enforce temporal consistency among generated structures. Our approach effectively harnesses abundant structural data to mitigate the scarcity of MD trajectory data and effectively decomposes the intricate MD modeling task into two manageable subproblems: structural generation and temporal alignment. We comprehensively evaluate our method on the QM9 and DRUGS small-molecule datasets across unconditional generation, forward simulation, and interpolation tasks, and further extend our framework and analysis to tetrapeptide and protein monomer systems. Experimental results confirm that our approach excels in generating chemically realistic MD trajectories, as evidenced by remarkable improvements of accuracy in geometric, dynamical, and energetic measurements.

cs.LG↗
arXiv2026

Multi-Camera View Scaling for Data-Efficient Robot Imitation Learning

The generalization ability of imitation learning policies for robotic manipulation is fundamentally constrained by the diversity of expert demonstrations, while collecting demonstrations across varied environments is costly and difficult in practice. In this paper, we propose a practical framework that exploits inherent scene diversity without additional human effort by scaling camera views during demonstration collection. Instead of acquiring more trajectories, multiple synchronized camera perspectives are used to generate pseudo-demonstrations from each expert trajectory, which enriches the training distribution and improves viewpoint invariance in visual representations. We analyze how different action spaces interact with view scaling and show that camera-space representations further enhance diversity. In addition, we introduce a multiview action aggregation method that allows single-view policies to benefit from multiple cameras during deployment. Extensive experiments in simulation and real-world manipulation tasks demonstrate significant gains in data efficiency and generalization compared to single-view baselines. Our results suggest that scaling camera views provides a practical and scalable solution for imitation learning, which requires minimal additional hardware setup and integrates seamlessly with existing imitation learning algorithms. The website of our project is https://yichen928.github.io/robot_multiview.

cs.RO↗
arXiv2026

SG-VLA: Learning Spatially-Grounded Vision-Language-Action Models for Mobile Manipulation

Vision-Language-Action (VLA) models show promise for robotic control, yet performance in complex household environments remains sub-optimal. Mobile manipulation requires reasoning about global scene layout, fine-grained geometry, and high-dimensional continuous actions, making standard imitation learning insufficient. We introduce a framework for learning spatially-grounded VLA models that strengthens perception and representation through auxiliary task co-training and multi-modal input enhancement. Our method addresses the challenge of controlling a 13-dimensional action space involving coordinated base motion, arm articulation, and gripper actuation. To enrich spatial understanding, the model incorporates multi-view RGB observations, depth cues, and short temporal history, providing perspectives of both global scene structure and local manipulation context. To improve representation quality, we co-train auxiliary decoders that reconstruct interpretable intermediate signals - including global robot position, joint configurations, grasp affordances, target-object relative pose, and segmentation masks - from shared visual-language features. These objectives provide dense supervision that encourages the backbone to develop spatially grounded, manipulation-aware latent representations. Through extensive evaluation on home rearrangement tasks, our approach achieves consistent improvements across picking, placing, opening, and closing operations, substantially outperforming direct imitation learning. Our findings suggest that spatial grounding through auxiliary and multi-modal learning provides a strong direction for scaling VLA models toward general-purpose domestic robots.

cs.RO↗
arXiv2026

EdiVal-Agent: An Object-Centric Framework for Automated, Fine-Grained Evaluation of Multi-Turn Editing

Instruction-based image editing has advanced rapidly, yet reliable and interpretable evaluation remains a bottleneck. Current protocols either (i) depend on paired reference images, resulting in limited coverage and inheriting biases from prior generative models or (ii) rely solely on zero-shot vision language models (VLMs), whose prompt-based assessments of instruction following, content consistency, and visual quality are often imprecise. To address this, we introduce EdiVal, an automated and fine-grained evaluation framework grounded in an object-centric perspective, designed to assess not only standard single-turn but also multi-turn instruction-based editing with precision. Given an input image, EdiVal first decomposes it into semantically meaningful objects, then synthesizes diverse, context-aware editing instructions while dynamically updating object pools across turns. These two stages enable two novel object centric metrics tailored for multi turn evaluation and one global metric of visual quality: 1) EdiVal-IF, which measures instruction following by combining open vocabulary object detectors for symbolic checks with VLMs for semantic verification on detector guided crops; 2) EdiVal-CC, which evaluates content consistency by calculating semantic similarity of unchanged objects and background using the evolving object pools; and 3) EdiVal-VQ, which quantifies changes in overall visual quality with human preference models. Instantiating this pipeline, we build EdiVal Bench, a multi-turn editing benchmark covering 9 instruction types and 16 state-of-the-art editing models, spanning in-context, flow-matching, and diffusion paradigms. We demonstrate that EdiVal can be used to identify existing failure modes, thereby informing the development of the next generation of editing models.

cs.CV↗
arXiv2026

PixARMesh: Autoregressive Mesh-Native Single-View Scene Reconstruction

We introduce PixARMesh, a method to autoregressively reconstruct complete 3D indoor scene meshes directly from a single RGB image. Unlike prior methods that rely on implicit signed distance fields and post-hoc layout optimization, PixARMesh jointly predicts object layout and geometry within a unified model, producing coherent and artist-ready meshes in a single forward pass. Building on recent advances in mesh generative models, we augment a point-cloud encoder with pixel-aligned image features and global scene context via cross-attention, enabling accurate spatial reasoning from a single image. Scenes are generated autoregressively from a unified token stream containing context, pose, and mesh, yielding compact meshes with high-fidelity geometry. Experiments on synthetic and real-world datasets show that PixARMesh achieves state-of-the-art reconstruction quality while producing lightweight, high-quality meshes ready for downstream applications.

cs.CV↗
arXiv2026

InstructPro: Natural Language Guided Ligand-Binding Protein Design

The de novo design of ligand-binding proteins with tailored functions is essential for advancing biotechnology and molecular medicine, yet existing AI approaches are limited by scarce protein-ligand complex data. To circumvent this data bottleneck, we leverage the abundant natural language descriptions characterizing protein-ligand interactions. Here, we introduce InstructPro, a family of generative models that design proteins following the guidance of natural language instructions and ligand formulas. InstructPro produces protein sequences consistent with specified function descriptions and ligand targets. To enable training and evaluation, we develop InstructProBench, a large-scale dataset of 9.6 million (function description, ligand, protein) triples. We train two model variants -- InstructPro-1B and InstructPro-3B -- that substantially outperform strong baselines. InstructPro-1B achieves an AlphaFold3 ipTM of 0.918 and a binding affinity of -8.764 on seen ligands, while maintaining robust performance in a zero-shot setting with scores of 0.869 and -6.713, respectively. These results are accompanied by novelty scores of 70.1% and 68.8%, underscoring the model's ability to generalize beyond the training set. Furthermore, the model yields a superior binding free energy of -20.9 kcal/mol and an average of 5.82 intermolecular hydrogen bonds, validating its proficiency in designing high-affinity ligand-binding proteins. Notably, scaling to InstructPro-3B further improves the zero-shot ipTM to 0.882, binding affinity to -6.797, and binding free energy to -25.8 kcal/mol, demonstrating clear performance gains associated with increased model capacity. These findings highlight the power of natural language-guided generative models to mitigate the data bottlenecks in traditional structure-based methods, significantly broadening the scope of de novo protein design.

cs.LG↗
arXiv2026

Augmenting Molecular Graphs with Geometries via Machine Learning Interatomic Potentials

Accurate molecular property predictions require 3D geometries, which are typically obtained using expensive methods such as density functional theory (DFT). Here, we attempt to obtain molecular geometries by relying solely on machine learning interatomic potential (MLIP) models. To this end, we first curate a large-scale molecular relaxation dataset comprising 3.5 million molecules and 300 million snapshots. Then MLIP pre-trained models are trained with supervised learning to predict energy and forces given 3D molecular structures. Once trained, we show that the pre-trained models can be used in different ways to obtain geometries either explicitly or implicitly. First, it can be used to obtain approximate low-energy 3D geometries via geometry optimization. While these geometries do not consistently reach DFT-level chemical accuracy or convergence, they can still improve downstream performance compared to non-relaxed structures. To mitigate potential biases and enhance downstream predictions, we introduce geometry fine-tuning based on the relaxed 3D geometries. Second, the pre-trained models can be directly fine-tuned for property prediction when ground truth 3D geometries are available. Our results demonstrate that MLIP pre-trained models trained on relaxation data can learn transferable molecular representations to improve downstream molecular property prediction and can provide practically valuable but approximate molecular geometries that benefit property predictions. Our code is publicly available at: https://github.com/divelab/AIRS/

physics.chem-ph↗
arXiv2026

Inference-Time Rethinking with Latent Thought Vectors for Math Reasoning

Standard chain-of-thought reasoning generates a solution in a single forward pass, committing irrevocably to each token and lacking a mechanism to recover from early errors. We introduce Inference-Time Rethinking, a generative framework that enables iterative self-correction by decoupling declarative latent thought vectors from procedural generation. We factorize reasoning into a continuous latent thought vector (what to reason about) and a decoder that verbalizes the trace conditioned on this vector (how to reason). Beyond serving as a declarative buffer, latent thought vectors compress the reasoning structure into a continuous representation that abstracts away surface-level token variability, making gradient-based optimization over reasoning strategies well-posed. Our prior model maps unstructured noise to a learned manifold of valid reasoning patterns, and at test time we employ a Gibbs-style procedure that alternates between generating a candidate trace and optimizing the latent vector to better explain that trace, effectively navigating the latent manifold to refine the reasoning strategy. Training a 0.2B-parameter model from scratch on GSM8K, our method with 30 rethinking iterations surpasses baselines with 10 to 15 times more parameters, including a 3B counterpart. This result demonstrates that effective mathematical reasoning can emerge from sophisticated inference-time computation rather than solely from massive parameter counts.

cs.CL↗
arXiv2026

VideoNSA: Native Sparse Attention Scales Video Understanding

Video understanding in multimodal language models remains limited by context length: models often miss key transition frames and struggle to maintain coherence across long time scales. To address this, we adapt Native Sparse Attention (NSA) to video-language models. Our method, VideoNSA, adapts Qwen2.5-VL through end-to-end training on a 216K video instruction dataset. We employ a hardware-aware hybrid approach to attention, preserving dense attention for text, while employing NSA for video. Compared to token-compression and training-free sparse baselines, VideoNSA achieves improved performance on long-video understanding, temporal reasoning, and spatial benchmarks. Further ablation analysis reveals four key findings: (1) reliable scaling to 128K tokens; (2) an optimal global-local attention allocation at a fixed budget; (3) task-dependent branch usage patterns; and (4) the learnable combined sparse attention help induce dynamic attention sinks. Project Page: https://enxinsong.com/VideoNSA-web/, Code: https://github.com/Espere-1119-Song/VideoNSA

cs.CV↗
arXiv2026

Tensor Decomposition Networks for Fast Machine Learning Interatomic Potential Computations

$\rm{SO}(3)$-equivariant networks are the dominant models for machine learning interatomic potentials (MLIPs). The key operation of such networks is the Clebsch-Gordan (CG) tensor product, which is computationally expensive. To accelerate the computation, we develop tensor decomposition networks (TDNs) as a class of approximately equivariant networks in which CG tensor products are replaced by low-rank tensor decompositions, such as the CANDECOMP/PARAFAC (CP) decomposition. With the CP decomposition, we prove (i) a uniform bound on the induced error of $\rm{SO}(3)$-equivariance, and (ii) the universality of approximating any equivariant bilinear map. To further reduce the number of parameters, we propose path-weight sharing that ties all multiplicity-space weights across the $\mathcal{O}(L^3)$ CG paths into a single shared parameter set without compromising equivariance, where $L$ is the maximum angular degree. The resulting layer acts as a plug-and-play replacement for tensor products in existing networks, and the computational complexity of tensor products is reduced from $\mathcal{O}(L^6)$ to $\mathcal{O}(L^4)$. We evaluate TDNs on PubChemQCR, a newly curated molecular relaxation dataset containing 105 million DFT-calculated snapshots. We also use existing datasets, including OC20, and OC22. Results show that TDNs achieve competitive performance with dramatic speedup in computations. Our code is publicly available as part of the AIRS library (\href{https://github.com/divelab/AIRS/tree/main/OpenMol/TDN}{https://github.com/divelab/AIRS/}).

cs.LG↗
arXiv2025

CVP: Central-Peripheral Vision-Inspired Multimodal Model for Spatial Reasoning

We present a central-peripheral vision-inspired framework (CVP), a simple yet effective multimodal model for spatial reasoning that draws inspiration from the two types of human visual fields -- central vision and peripheral vision. Existing approaches primarily rely on unstructured representations, such as point clouds, voxels, or patch features, and inject scene context implicitly via coordinate embeddings. However, this often results in limited spatial reasoning capabilities due to the lack of explicit, high-level structural understanding. To address this limitation, we introduce two complementary components into a Large Multimodal Model-based architecture: target-affinity token, analogous to central vision, that guides the model's attention toward query-relevant objects; and allocentric grid, akin to peripheral vision, that captures global scene context and spatial arrangements. These components work in tandem to enable structured, context-aware understanding of complex 3D environments. Experiments show that CVP achieves state-of-the-art performance across a range of 3D scene understanding benchmarks.

cs.CV↗
arXiv2025

Principled RL for Diffusion LLMs Emerges from a Sequence-Level Perspective

Reinforcement Learning (RL) has proven highly effective for autoregressive language models, but adapting these methods to diffusion large language models (dLLMs) presents fundamental challenges. The core difficulty lies in likelihood approximation: while autoregressive models naturally provide token-level conditional probabilities essential for token-level RL objectives (e.g., GRPO), dLLMs generate sequences through iterative non-autoregressive denoising steps that lack this factorization. To address this fundamental mismatch, we propose ELBO-based Sequence-level Policy Optimization (ESPO), a principled RL framework that treats entire sequence generation as a single action and uses the ELBO as a tractable sequence-level likelihood proxy. Our method incorporates per-token normalization of importance ratios and robust KL-divergence estimation to ensure stable large-scale training. Extensive experiments on mathematical reasoning, coding, and planning tasks demonstrate that ESPO significantly outperforms token-level baselines, achieving dramatic improvements of 20-40 points on the Countdown task, while maintaining consistent gains on math and coding benchmarks. Our approach establishes sequence-level optimization as a principled and empirically effective paradigm for RL in dLLMs. Our code is available at https://github.com/ML-GSAI/ESPO.

cs.CL↗
arXiv2025

TriDiff-4D: Fast 4D Generation through Diffusion-based Triplane Re-posing

With the increasing demand for 3D animation, generating high-fidelity, controllable 4D avatars from textual descriptions remains a significant challenge. Despite notable efforts in 4D generative modeling, existing methods exhibit fundamental limitations that impede their broader applicability, including temporal and geometric inconsistencies, perceptual artifacts, motion irregularities, high computational costs, and limited control over dynamics. To address these challenges, we propose TriDiff-4D, a novel 4D generative pipeline that employs diffusion-based triplane re-posing to produce high-quality, temporally coherent 4D avatars. Our model adopts an auto-regressive strategy to generate 4D sequences of arbitrary length, synthesizing each 3D frame with a single diffusion process. By explicitly learning 3D structure and motion priors from large-scale 3D and motion datasets, TriDiff-4D enables skeleton-driven 4D generation that excels in temporal consistency, motion accuracy, computational efficiency, and visual fidelity. Specifically, TriDiff-4D first generates a canonical 3D avatar and a corresponding motion sequence from a text prompt, then uses a second diffusion model to animate the avatar according to the motion sequence, supporting arbitrarily long 4D generation. Experimental results demonstrate that TriDiff-4D significantly outperforms existing methods, reducing generation time from hours to seconds by eliminating the optimization process, while substantially improving the generation of complex motions with high-fidelity appearance and accurate 3D geometry.

cs.CV↗
arXiv2025

Word Salad Chopper: Reasoning Models Waste A Ton Of Decoding Budget On Useless Repetitions, Self-Knowingly

Large Reasoning Models (LRMs) are often bottlenecked by the high cost of output tokens. We show that a significant portion of these tokens are useless self-repetitions - what we call "word salad" - that exhaust the decoding budget without adding value. Interestingly, we observe that LRMs are self-aware when trapped in these loops: the hidden states of <\n\n> tokens trailing each reasoning chunk exhibit patterns that allow us to detect word salad behavior on-the-fly via a single-layer linear classifier. Once detected, a simple chop appended by a straightforward regeneration prompt yields substantial length savings with minimal quality loss. Our work offers WordSaladChopper (WSC) - a lightweight, turnkey component for LRM that is minimally invasive to its reasoning trajectory by only removing semantically redundant tokens. Given its low overhead, strong savings, and the lack of semantic value of word salad tokens, we believe it is not too far-fetched to argue that WSC - or a similar component - is a must-have for all LRM applications with user experience in mind. Our code is publicly available at https://github.com/wenyaxie023/WordSaladChopper.

cs.CL↗