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Chen Liu

Publications and source records attributed to Chen Liu.

At least 55 records · Page 3Linked to original sources

MoleCode unlocks structural intelligence in large language models

Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in which topology is implicit, forcing LLMs to reconstruct molecular structure before performing the requested chemical operation. Here we introduce MoleCode, an LLM-native, training-free, graph-explicit molecular language in which all molecular components are represented as typed entities with persistent identifiers and explicit relations. MoleCode makes molecular topology directly readable, editable and auditable within the language context, allowing an LLM to operate on structure rather than recover it from syntax. Across molecular reasoning, editing, generation and analysis tasks, this representational shift improves frontier LLMs most strongly when structural access is limiting: unfamiliar molecules, topology-sensitive operations, larger structures and repetitive polymers. It also changes how inference is allocated, replacing long reasoning traces devoted to implicit structural reconstruction with shorter, more chemically directed reasoning over explicit atoms and bonds. In molecular optimization, this enables localized, property-aligned edits that preserve structural similarity to the starting compounds. The same Subgraph--Node--Edge grammar extends beyond small molecules to polymers, Markush structures, mechanism-style transformations and interleaved scientific documents, including research articles and patent disclosures in which chemical information is distributed across text and images. These results suggest that the interface between scientific objects and LLMs should not treat structure as something to be decoded from text. When the object of reasoning is relational, the structure itself should be part of the language.

q-bio.BM↗

Efficient Admissible Set Projection in Optimization-based Invariant-Domain-Preserving Limiters for Ideal MHD

Preserving the admissible set of the ideal magnetohydrodynamics (MHD) equations is important not only for producing physically meaningful numerical solutions, but more importantly for achieving robust computations. In this paper, we develop an optimization-based limiter to enforce admissibility while preserving global conservation and accuracy. For an easy and efficient projection, we decompose the admissible set into slices parameterized by the magnetic energy, so that the MHD projection reduces to a one-dimensional minimization, which can be solved efficiently by the Brent method. The splitting method can be used to efficiently solve the global minimization problem of the optimization-based limiter, which can be used to enforce cell average admissibility in discontinuous Galerkin (DG) schemes, and pointwise admissibility can be further enforced by the Zhang-Shu positivity-preserving limiter. We apply the limiter to high-order DG schemes and present numerical results for a few representative MHD problems.

math.NA↗

A ferroelectric junction transistor memory made from switchable van der Waals p-n heterojunctions

Van der Waals (vdW) p-n heterojunctions are important building blocks for advanced electronics and optoelectronics, in which high-quality heterojunctions essentially determine device performances or functionalities. Creating tunable depletion regions with substantially suppressed leakage currents presents huge challenges, but is crucial for heterojunction applications. Here, by using band-aligned p-type SnSe and n-type ferroelectric α-In2Se3 as a model, we report near-ideal multifunctional vdW p-n heterojunctions with small reverse leakage currents (0.1 pA) and a desired diode ideality factor (1.95). We realize ferroelectric-tuned band alignment with a giant barrier modulation of 900 meV. Based on such tunable heterojunctions, we propose and demonstrate a fundamental different memory device termed ferroelectric junction field-effect transistor memory, which shows large memory windows (1.8 V), ultrafast speed (100 ns), high operation temperature (393 K), and low cycle-to-cycle variation (2%). Additionally, the reliable synaptic characteristics of these memory devices promise low-power neuromorphic computing. Our work provides a new device platform with switchable memory heterojunctions, applicable to high performance brain-inspired electronics and optoelectronics.

cond-mat.mtrl-sci↗

Dispersion Loss Counteracts Embedding Condensation and Improves Generalization in Small Language Models

Large language models (LLMs) achieve remarkable performance through ever-increasing parameter counts, but scaling incurs steep computational costs. To better understand LLM scaling, we study representational differences between LLMs and their smaller counterparts, with the goal of replicating the representational qualities of larger models in smaller models. We observe a geometric phenomenon which we term $\textbf{embedding condensation}$, where token embeddings collapse into a narrow cone-like subspace in some language models. Through systematic analyses across multiple Transformer families, we show that small models such as $\texttt{GPT2}$ and $\texttt{Qwen3-0.6B}$ exhibit severe condensation, whereas larger models such as $\texttt{GPT2-xl}$ and $\texttt{Qwen3-32B}$ are more resistant to this phenomenon. Additional observations show that embedding condensation is not reliably mitigated by knowledge distillation from larger models. To fight against it, we formulate a dispersion loss that explicitly encourages embedding dispersion during training. Experiments demonstrate that it mitigates condensation, recovers dispersion patterns seen in larger models, and yields performance gains across 10 benchmarks. We believe this work offers a principled path toward improving smaller Transformers without additional parameters.

cs.LG↗

M-DaQ: Retrieving Samples with Multilingual Diversity and Quality for Instruction Fine-Tuning Datasets

Multilingual instruction fine-tuning (IFT) empowers large language models to generalize across diverse linguistic and cultural contexts; however, high-quality, systematically curated multilingual IFT datasets remain scarce. To address this gap, we propose M-DaQ (Multilingual Diversity and Quality), a diversity-aware sampling framework that jointly optimizes instruction-response quality and cross-lingual semantic diversity. M-DaQ leverages a fine-tuned Quality Scoring Model alongside a maximal marginal relevance-inspired selection strategy to construct balanced, high-fidelity training data. Furthermore, we present the first systematic investigation of the Superficial Alignment Hypothesis in multilingual settings. Extensive evaluations across 18 languages demonstrate that models trained on M-DaQ-curated data achieve average win rates exceeding 60% against strong baselines on Alpaca-Eval and MT-Bench. Complementary human evaluations corroborate these gains, highlighting significant improvements in cultural relevance, contextual appropriateness, and instruction-following capability. The code are publicly released to facilitate reproducibility and future research.

cs.CL↗

Animalbooth: multimodal feature enhancement for animal subject personalization

Personalized animal image generation is challenging due to rich appearance cues and large morphological variability. Existing approaches often exhibit feature misalignment across domains, which leads to identity drift. We present AnimalBooth, a framework that strengthens identity preservation with an Animal Net and an adaptive attention module, mitigating cross domain alignment errors. We further introduce a frequency controlled feature integration module that applies Discrete Cosine Transform filtering in the latent space to guide the diffusion process, enabling a coarse to fine progression from global structure to detailed texture. To advance research in this area, we curate AnimalBench, a high resolution dataset for animal personalization. Extensive experiments show that AnimalBooth consistently outperforms strong baselines on multiple benchmarks and improves both identity fidelity and perceptual quality.

cs.CV↗

Not All Directions Matter: Towards Structured and Task-Aware Low-Rank Model Adaptation

Low-Rank Adaptation (LoRA) has become a cornerstone of parameter-efficient fine-tuning (PEFT). Yet, its efficacy is hampered by two fundamental limitations: semantic drift, by treating all update directions with equal importance, and structural incoherence, from adapting layers independently, resulting in suboptimal, uncoordinated updates. To remedy these, we propose StructLoRA, a framework that addresses both limitations through a principled, dual-component design: (1) an Information Bottleneck-guided filter that prunes task-irrelevant directions to mitigate semantic drift, and (2) a lightweight, training-only graph-based coordinator that enforces inter-layer consistency to resolve structural incoherence. Extensive experiments across large language model , vision language model, and vision model (including LLaMA, LLaVA, and ViT) demonstrate that StructLoRA consistently establishes a new state-of-the-art, outperforming not only vanilla LoRA but also advanced dynamic rank allocation and sparsity-based methods. Notably, the benefits are particularly pronounced in challenging low-rank and low-data regimes. Crucially, since our proposed modules operate only during training, StructLoRA enhances performance with zero additional inference cost, advancing the focus of PEFT -- from mere parameter compression to a more holistic optimization of information quality and structural integrity.

cs.CV↗

The GaoYao Benchmark: A Comprehensive Framework for Evaluating Multilingual and Multicultural Abilities of Large Language Models

Evaluating the multilingual and multicultural capabilities of Large Language Models (LLMs) is essential for their global utility. However, current benchmarks face three critical limitations: (1) fragmented evaluation dimensions that often neglect deep cultural nuances; (2) insufficient language coverage in subjective tasks relying on low-quality machine translation; and (3) shallow analysis that lacks diagnostic depth beyond simple rankings. To address these, we introduce GaoYao, a comprehensive benchmark with 182.3k samples, 26 languages and 51 nations/areas. First, GaoYao proposes a unified framework categorizing evaluation tasks into three cultural layers (General Multilingual, Cross-cultural, Monocultural) and nine cognitive sub-layers. Second, we achieve native-quality expansion by leveraging experts to rigorously localize subjective benchmarks into 19 languages and synthesizing cross-cultural test sets for 34 cultures, surpassing prior coverage by up to 111%. Third, we conduct an in-depth diagnostic analysis on 20+ flagship and compact LLMs. Our findings reveal significant geographical performance disparities and distinct gaps between tasks, offering a reliable map for future work. We release the benchmark (https://github.com/lunyiliu/GaoYao).

cs.CL↗

Unposed-to-3D: Learning Simulation-Ready Vehicles from Real-World Images

Creating realistic and simulation-ready 3D assets is crucial for autonomous driving research and virtual environment construction. However, existing 3D vehicle generation methods are often trained on synthetic data with significant domain gaps from real-world distributions. The generated models often exhibit arbitrary poses and undefined scales, resulting in poor visual consistency when integrated into driving scenes. In this paper, we present Unposed-to-3D, a novel framework that learns to reconstruct 3D vehicles from real-world driving images using image-only supervision. Our approach consists of two stages. In the first stage, we train an image-to-3D reconstruction network using posed images with known camera parameters. In the second stage, we remove camera supervision and use a camera prediction head that directly estimates the camera parameters from unposed images. The predicted pose is then used for differentiable rendering to provide self-supervised photometric feedback, enabling the model to learn 3D geometry purely from unposed images. To ensure simulation readiness, we further introduce a scale-aware module to predict real-world size information, and a harmonization module that adapts the generated vehicles to the target driving scene with consistent lighting and appearance. Extensive experiments demonstrate that Unposed-to-3D effectively reconstructs realistic, pose-consistent, and harmonized 3D vehicle models from real-world images, providing a scalable path toward creating high-quality assets for driving scene simulation and digital twin environments.

cs.CV↗

Soft Electroadhesive Feet for Micro Aerial Robots Perching on Smooth and Curved Surfaces

Electroadhesion (EA) provides electrically switchable adhesion and is a promising mechanism for perching micro aerial robots on smooth surfaces. However, practical implementations of soft and stretchable EA pads for aerial perching remain limited. This work presents (i) an efficient workflow for fabricating soft, stretchable electroadhesive pads with sinusoidal wave and concentric-circle electrodes in multiple sizes, (ii) a controlled experimental comparison of normal and shear adhesion under inactive (0 kV) and active (4.8 kV) conditions using an Instron-based setup, and (iii) a perching demonstration using a Crazyflie quadrotor equipped with electroadhesive feet on flat and curved substrates. Experimental results show that shear adhesion dominates, reaching forces on the order of 3 N with partial pad contact, while normal adhesion is comparatively small and strongly dependent on substrate properties. The Crazyflie prototype demonstrates repeatable attachment on smooth plastic surfaces, including curved geometries, as well as rapid detachment when the voltage is removed. These results highlight the potential of soft electroadhesive feet for lightweight and reliable perching in micro aerial vehicles (MAVs).

cs.RO↗

Sema Code: Decoupling AI Coding Agents into Programmable, Embeddable Infrastructure

AI coding agents have become central to developer workflows, yet every existing solution locks its reasoning capabilities within a specific delivery form, such as a CLI, IDE plugin, or web application. This limitation creates systemic barriers when enterprises attempt to reuse these capabilities across heterogeneous engineering environments. To address this challenge, we present Sema Code, an open AI coding framework built on the principle of being embeddable, pluggable, and framework-first. Sema Code completely decouples the core agent engine from all client layers, publishing it as a standalone npm library that any runtime can drive programmatically. Built around this architecture, we designed eight key mechanisms: multi-tenant engine isolation, FIFO input queuing with safe session reconstruction, adaptive context compression, multi-agent collaborative scheduling, intelligent Todo-based process management, four-layer asynchronous permission control, three-tier ecosystem integration spanning MCP, Skills, and Plugins, and a background task framework with separated execution and observation privileges. These mechanisms collectively address the engineering challenges of transforming a complex agent engine into a shared, programmable core. Demonstrating its architectural versatility, the same Sema Core engine simultaneously powers a VSCode extension and a multi-channel messaging gateway, which we name SemaClaw, to unify agent interactions across platforms such as Telegram and Feishu. These represent two fundamentally different product forms sharing an identical reasoning kernel, differing only at the client layer.

cs.SE↗

$Δl =1$ coupling of single-particle orbitals in octupole deformed nuclei

Conventionally, octupole deformation in nuclei has been attributed to strong $Δl=3$ couplings between opposite-parity single-particle orbitals. In this work, we demonstrate that the often-overlooked $Δl=1$ mode also plays an important role. Taking orbitals near the octupole magic number $N = 134$ as a benchmark, we systematically evaluate the $Δl = 1$ and $Δl = 3$ mixing ratios of the wave functions within the Nilsson model, interpreting the trends through matrix elements of the deformed potential. We introduce component-resolved single-particle octupole energy contributions, based on the Hellmann--Feynman relation, to quantify the contributions of each $(Δl,Δj)$ coupling. Furthermore, the impact of $Δl = 1$ coupling on the rotational structure is demonstrated via particle-rotor model calculations for $^{221}$Ra and $^{223}$Th. Our work suggests that $Δl=1$ and $Δl=3$ octupole couplings act synergistically in driving reflection asymmetry, necessitating a revised paradigm for understanding octupole correlation.

nucl-th↗

SemaClaw: A Step Towards General-Purpose Personal AI Agents through Harness Engineering

The rise of OpenClaw in early 2026 marks the moment when millions of users began deploying personal AI agents into their daily lives, delegating tasks ranging from travel planning to multi-step research. This scale of adoption signals that two parallel arcs of development have reached an inflection point. First is a paradigm shift in AI engineering, evolving from prompt and context engineering to harness engineering-designing the complete infrastructure necessary to transform unconstrained agents into controllable, auditable, and production-reliable systems. As model capabilities converge, this harness layer is becoming the primary site of architectural differentiation. Second is the evolution of human-agent interaction from discrete tasks toward a persistent, contextually aware collaborative relationship, which demands open, trustworthy and extensible harness infrastructure. We present SemaClaw, an open-source multi-agent application framework that addresses these shifts by taking a step towards general-purpose personal AI agents through harness engineering. Our primary contributions include a DAG-based two-phase hybrid agent team orchestration method, a PermissionBridge behavioral safety system, a three-tier context management architecture, and an agentic wiki skill for automated personal knowledge base construction.

cs.AI↗

Don't Act Blindly: Robust GUI Automation via Action-Effect Verification and Self-Correction

Autonomous GUI agents based on vision-language models (VLMs) often assume deterministic environment responses, generating actions without verifying whether previous operations succeeded. In real-world settings with network latency, rendering delays, and system interruptions, this assumption leads to undetected action failures, repetitive ineffective behaviors, and catastrophic error accumulation. Moreover, learning robust recovery strategies is challenging due to the high cost of online interaction and the lack of real-time feedback in offline datasets.We propose VeriGUI (Verification-driven GUI Agent), which explicitly models action outcomes and recovery under noisy environments. VeriGUI introduces a Thinking--Verification--Action--Expectation (TVAE) framework to detect failures and guide corrective reasoning, and a two-stage training pipeline that combines Robust SFT with synthetic failure trajectories and GRPO with asymmetric verification rewards. We further construct a Robustness Benchmark based on AndroidControl to evaluate failure recognition and correction. Experiments show that VeriGUI significantly reduces failure loops and improves recovery success while maintaining competitive standard task performance.

cs.CL↗

TeamPath: Building MultiModal Pathology Experts with Reasoning AI Copilots

Advances in AI have introduced several strong models in computational pathology to usher it into the era of multi-modal diagnosis, analysis, and interpretation. However, the current pathology-specific visual language models still lack capacities in making the diagnosis with rigorous reasoning paths as well as handling divergent tasks, and thus, challenges of building AI Copilots for real scenarios still exist. Here we introduce TeamPath, an AI system powered by reinforcement learning and router-enhanced solutions based on large-scale histopathology multimodal datasets, to work as a virtual assistant for expert-level disease diagnosis, patch-level information summarization, and cross-modality generation to integrate transcriptomic information for clinical usage. We also collaborate with pathologists from Yale School of Medicine to demonstrate that TeamPath can assist them in working more efficiently by identifying and correcting expert conclusions and reasoning paths. We also discuss the human evaluation results to support the reasoning quality from TeamPath. Overall, TeamPath can flexibly choose the best settings according to the needs, and serve as an innovative and reliable system for information communication across different modalities and experts.

q-bio.QM↗

MTLSI-Net: A Linear Semantic Interaction Network for Parameter-Efficient Multi-Task Dense Prediction

Multi-task dense prediction aims to perform multiple pixel-level tasks simultaneously. However, capturing global cross-task interactions remains non-trivial due to the quadratic complexity of standard self-attention on high-resolution features. To address this limitation, we propose a Multi-Task Linear Semantic Interaction Network (MTLSI-Net), which facilitates cross-task interaction through linear attention. Specifically, MTLSI-Net incorporates three key components: a Multi-Task Multi-scale Query Linear Fusion Block, which captures cross-task dependencies across multiple scales with linear complexity using a shared global context matrix; a Semantic Token Distiller that compresses redundant features into compact semantic tokens, distilling essential cross-task knowledge; and a Cross-Window Integrated attention Block that injects global semantics into local features via a dual-branch architecture, preserving both global consistency and spatial precision. These components collectively enable the network to capture comprehensive cross-task interactions at linear complexity with reduced parameters. Extensive experiments on NYUDv2 and PASCAL-Context demonstrate that MTLSI-Net achieves state-of-the-art performance, validating its effectiveness and efficiency in multi-task learning.

cs.CV↗

PDA: Text-Augmented Defense Framework for Robust Vision-Language Models against Adversarial Image Attacks

Vision-language models (VLMs) are vulnerable to adversarial image perturbations. Existing works based on adversarial training against task-specific adversarial examples are computationally expensive and often fail to generalize to unseen attack types. To address these limitations, we introduce Paraphrase-Decomposition-Aggregation (PDA), a training-free defense framework that leverages text augmentation to enhance VLM robustness under diverse adversarial image attacks. PDA performs prompt paraphrasing, question decomposition, and consistency aggregation entirely at test time, thus requiring no modification on the underlying models. To balance robustness and efficiency, we instantiate PDA as invariants that reduce the inference cost while retaining most of its robustness gains. Experiments on multiple VLM architectures and benchmarks for visual question answering, classification, and captioning show that PDA achieves consistent robustness gains against various adversarial perturbations while maintaining competitive clean accuracy, establishing a generic, strong and practical defense framework for VLMs during inference.

cs.CV↗

Learnable Instance Attention Filtering for Adaptive Detector Distillation

As deep vision models grow increasingly complex to achieve higher performance, deployment efficiency has become a critical concern. Knowledge distillation (KD) mitigates this issue by transferring knowledge from large teacher models to compact student models. While many feature-based KD methods rely on spatial filtering to guide distillation, they typically treat all object instances uniformly, ignoring instance-level variability. Moreover, existing attention filtering mechanisms are typically heuristic or teacher-driven, rather than learned with the student. To address these limitations, we propose Learnable Instance Attention Filtering for Adaptive Detector Distillation (LIAF-KD), a novel framework that introduces learnable instance selectors to dynamically evaluate and reweight instance importance during distillation. Notably, the student contributes to this process based on its evolving learning state. Experiments on the KITTI and COCO datasets demonstrate consistent improvements, with a 2% gain on a GFL ResNet-50 student without added complexity, outperforming state-of-the-art methods.

cs.CV↗