Search arXiv⌕ Search

arXiv subjects

Yu Zhang

Publications and source records attributed to Yu Zhang.

At least 127 records · Page 7Linked to original sources
arXiv2026

ConfRetro: a 3D-aware template-free method for enhancing retrosynthesis via molecular conformer information

Motivation: Retrosynthesis plays a crucial role in organic synthesis and drug discovery, focusing on identifying a set of reactants capable of synthesizing a target product molecule. Although the existing approaches have shown promising results, they do not fully exploit 3D conformer information and molecular spatial structure, which can hinder stereochemically consistent and chemically plausible predictions. Results: To tackle this problem, we propose ConfRetro, a Transformer-based template-free method that integrates molecular conformer information and spatial structure. We devise an Atom-align Fusion module to combine 3D positional information at the model input stage, ensuring alignment between atom tokens and corresponding 3D representations. Furthermore, we design a Distance-weighted Attention mechanism to guide self-attention, constraining the receptive field of model and emphasizing chemically relevant atom pairs in 3D space. Experiments conducted on the USPTO-50K and USPTO-FULL datasets demonstrate that ConfRetro significantly outperforms existing template-free approaches, achieving a new state-of-the-art performance. Case studies further highlight its capability to predict accurate and chemically plausible reactants, even for target molecules with intricate structures. Moreover, when plugged into a standard retrosynthetic search, ConfRetro recovers feasible synthetic routes for multiple representative drug molecules (e.g. Camptothecin). Availability and implementation: ConfRetro is available at https://github.com/Jesse-zjx/ConfRetro. Archival snapshot is available at https://doi.org/10.5281/zenodo.20785018.

cs.LG↗
arXiv2026

Best Reaction Target To Determine Proton Distribution Radii of Atomic Nuclei

We found that a heavy target such as Pb is most suitable for determining the proton distribution radii of unstable nuclei through charge-changing cross-section ($σ_\text{cc}$) measurements. As a heavy ion probe, low-$Z$ targets are routinely used to determine nucleon distribution radii of unstable isotopes. This approach has recently been extended to study proton distribution radii from $σ_\text{cc}$ measurements. However, empirical scaling factors have to be introduced to apply the Glauber models. In the present work, we systematically investigated the scaling factor using 39 new $σ_\text{cc}$ data of 18 $p$-shell nuclei on hydrogen, carbon, silver, and lead targets at around 240 MeV/nucleon. Together with the existing data, we reveal a universal dependence of the scaling factor on both the masses of target nuclei and the separation energies of projectile nuclei. The scaling factors decrease with increasing target-nucleus mass and converge to 1 for the highest-$Z$ target, making the scaling unnecessary. We conclude that instead of a low-$Z$ target, employing a heavy target such as Pb in $σ_\text{cc}$ measurements is the best option to determine the proton distribution radii of unstable nuclei.

nucl-ex↗
arXiv2026

P2MFDS: A Privacy-Preserving Multimodal Fall Detection System for Elderly People in Bathroom Environments

By 2050, people aged 65 and over are projected to make up 16% of the global population. As aging is closely associated with increased fall risk, particularly in wet and confined environments such as bathrooms where over 80% of falls occur. Although recent research has increasingly focused on non-intrusive, privacy-preserving approaches that do not rely on wearable devices or video-based monitoring, these efforts have not fully overcome the limitations of existing unimodal systems (e.g., WiFi-, infrared-, or mmWave-based), which are prone to reduced accuracy in complex environments. These limitations stem from fundamental constraints in unimodal sensing, including system bias and environmental interference, such as multipath fading in WiFi-based systems and drastic temperature changes in infrared-based methods. To address these challenges, we propose a Privacy-Preserving Multimodal Fall Detection System for Elderly People in Bathroom Environments. First, we develop a sensor evaluation framework to select and fuse millimeter-wave radar with 3D vibration sensing, and use it to construct and preprocess a large-scale, privacy-preserving multimodal dataset in real bathroom settings, which will be released upon publication. Second, we introduce P2MFDS, a dual-stream network combining a CNN-BiLSTM-Attention branch for radar motion dynamics with a multi-scale CNN-SEBlock-Self-Attention branch for vibration impact detection. By uniting macro- and micro-scale features, P2MFDS delivers significant gains in accuracy and recall over state-of-the-art approaches.

cs.CV↗
arXiv2026

Pixel-Space Diffusion Transformers

Latent diffusion models (LDMs) enable efficient high-resolution image synthesis by denoising in a VAE-compressed latent space. However, fixed visual tokenizers can discard fine textures and structural details, while separate representation and diffusion training creates a mismatch between reconstruction and generation objectives. These limitations have renewed interest in pixel-space diffusion, which models raw pixels directly, removes the VAE bottleneck, and supports end-to-end optimization. This formulation better matches the demands of high-fidelity generation but introduces challenges in high-dimensional modeling, including noise scheduling, loss weighting, token efficiency, and scalable architecture design. Pixel-space modeling also offers a promising basis for unified multimodal systems: raw pixels, text, and task conditions can be represented in a shared token space and jointly processed by a single Transformer, narrowing the gap between visual understanding and generation. This paper reviews Pixel-Space Diffusion Transformers (pDiTs) from the perspectives of model architecture, continuous generative mechanisms, and unified multimodal modeling. We summarize representative methods, identify key technical challenges, and discuss future directions toward high-fidelity, end-to-end vision foundation models that integrate generation and understanding.

cs.CV↗
arXiv2026

FunnelCausalNet: Funnel-aware Joint Conversion-Revenue Uplift for Multi-tier Coupon Allocation

Coupon campaigns seek to lift both conversion and revenue, but gross merchandise value (GMV) follows a deterministic funnel from conversion to conditional order value and is zero-inflated and heavy-tailed. We propose FunnelCausalNet, an uplift estimator coupling a binary conversion head with a nonnegative conditional-value head through $μ_{\mathrm{gmv}}=μ_{\mathrm{conv}}μ_{\mathrm{val}}$. Under explicit RCT, support, rate-gap, and cross-head covariance-control assumptions, an idealized leading-order MSE comparison identifies a regime in which funnel composition can reduce pointwise variance; this is a heuristic, not a guarantee for the shared-representation neural model. The estimator is paired with marginal split-conformal CATE summaries, combined through a Bonferroni union as audit bands, and a Lagrangian budgeted allocator using RCT-anchored estimates for subsidy-aware ROI accounting. On semi-synthetic multi-tier Criteo-MT7, FunnelCausalNet's mean AUUC_GMV is within one seed standard deviation of the leading feature-interaction baseline among eleven baselines, while a controlled ablation reduces GMV effect error versus direct GMV regression by 18--48% across tested zero-inflation regimes. On de-identified industrial Hotel-Coupon RCT logs with about 4.9 million hold-out exposure records per seed, expected-outcome evaluation sweeps full LP frontiers; FunnelCausalNet has the best seed-averaged mean DeltaROI at all seven correlated anchors from 10% to 60%, which we treat as descriptive frontier consistency rather than independent significance. On sparse binary-spend public benchmarks, revenue-focused rankers can dominate uplift-curve proxies, defining an explicit regime boundary.

cs.LG↗
arXiv2026

Certify or Refuse: A Cross-Model Map for Selective Risk Control with Coverage Floors under Covariate Shift

Certified selective predictors attain whatever coverage they attain; operators impose an automation floor: answer at least a $β$-fraction of shifted target traffic with at most an $α$-fraction of answers wrong. Under bounded-ratio covariate shift we prove the Floor Certification Map: once that floor must be certified alongside the selection-conditioned risk $α$, certification acquires a feasibility frontier and a two-resource complexity map, additive up to constants: risk in labeled source, the floor in unlabeled target samples. The rates are local, needing a regular frontier margin, slack below the local-regime threshold, and lattice conditions: pre-registered with a lattice margin for the upper bounds, compatible per-slack for the lower. The displayed split is the operational route; oracle weights also allow a labeled-source floor estimate. Three model-tagged results: a lower bound (Model-B), a matching oracle-weight upper bound (Model-A), and an implementable upper bound (Model-B') valid under a pre-registered exact stratified-shift model with nuisance cost priced explicitly. The match is across these models rather than a single-model minimax theorem, and necessarily so: over the full bounded-ratio class no unknown-weight procedure matches at any sample size (Model-B is inconsistent, witnessed at $α=β=1/2$). The nuisance's necessity is only partially settled. Complexity tracks a localized accepted-region functional, not global effective sample size (ESS), on both sides, though a fixed-ESS separation theorem is left open; both lower-bound axes vanish as $β\to0$, so the floor creates the map. Empirically, the registered bite family diverges with log-log slope $-2.002$ within its pre-registered band; a 1,024-cell audit records 0 violations where the formal certificates fire; and a single-corpus SQuAD-to-NewsQA feasibility audit returns honest refusal.

cs.CL↗
arXiv2026

Bidirectional Learning of Facial Action Units and Expressions via Structured Semantic Mapping across Heterogeneous Datasets

Facial action unit (AU) detection and facial expression (FE) recognition can be jointly viewed as affective facial behavior tasks, representing fine-grained muscular activations and coarse-grained holistic affective states, respectively. Despite their inherent semantic correlation, existing studies predominantly focus on knowledge transfer from AUs to FEs, while bidirectional learning remains insufficiently explored. In practice, this challenge is further compounded by heterogeneous data conditions, where AU and FE datasets differ in annotation paradigms (frame-level vs.\ clip-level), label granularity, and data availability and diversity, hindering effective joint learning. To address these issues, we propose a Structured Semantic Mapping (SSM) framework for bidirectional AU--FE learning under different data domains and heterogeneous supervision. SSM consists of three key components: (1) a shared visual backbone that learns unified facial representations from dynamic AU and FE videos; (2) semantic mediation via a Textual Semantic Prototype (TSP) module, which constructs structured semantic prototypes from fixed textual descriptions with learnable context prompts for supervision and cross-task alignment in a shared semantic space; and (3) a Dynamic Prior Mapping (DPM) module that incorporates FACS-derived prior knowledge and learns data-adaptive bidirectional association matrices in the textual semantic space for explicit knowledge transfer. Extensive experiments on popular AU detection and FE recognition benchmarks show that SSM consistently outperforms its single-task and multi-task baselines and achieves competitive performance against task-specific methods. The FE-to-AU results further show that holistic expression semantics provides useful supervision for fine-grained AU learning across heterogeneous datasets.

cs.CV↗
arXiv2026

Self-Attention to Operator Learning-based 3D-IC Thermal Simulation

Thermal management in 3D ICs is increasingly challenging due to higher power densities. Traditional PDE-solving-based methods, while accurate, are too slow for iterative design. Machine learning approaches like FNO provide faster alternatives but suffer from high-frequency information loss and high-fidelity data dependency. We introduce Self-Attention U-Net Fourier Neural Operator (SAU-FNO), a novel framework combining self-attention and U-Net with FNO to capture long-range dependencies and model local high-frequency features effectively. Transfer learning is employed to fine-tune low-fidelity data, minimizing the need for extensive high-fidelity datasets and speeding up training. Experiments demonstrate that SAU-FNO achieves state-of-the-art thermal prediction accuracy and provides an 842x speedup over traditional FEM methods, making it an efficient tool for advanced 3D IC thermal simulations.

cs.LG↗
arXiv2026

AtlasVLA: Persistent World-Ego State Modeling for Vision-Language-Action Models

While Vision-Language-Action (VLA) models have advanced embodied AI, their fundamentally reactive paradigm severely limits performance in partially observable and long-horizon tasks. When restricted to a single wrist-mounted camera, they inevitably suffer from perception forgetting as objects exit the field of view, and temporal task-progress forgetting} during multi-step execution. To overcome these bottlenecks, we propose AtlasVLA, a novel framework that transitions from direct reactive manipulation to proactive reasoning through a persistent world-ego state. AtlasVLA features a dual-memory architecture: a 4D Persistent World State Memory that lifts transient 2D observations into a globally updated, voxel-hashed spatial state to resolve visual blind spots, and an Ego-Working State Memory that tracks historical ego state and task progress. By conditioning a diffusion transformer (DiT) on this joint World-Ego state, AtlasVLA enables robust spatial reasoning. Extensive evaluations across LIBERO, RLBench, and real-world benchmarks demonstrate that AtlasVLA achieves state-of-the-art performance using solely a wrist camera. Remarkably, it decisively outperforms multi-view baselines, yielding absolute success rate improvements of 9.4% on LIBERO-Long and 17.5% in real-world long-horizon tasks.

cs.RO↗
arXiv2026

Faster and Better Alignment for Flow Matching Models via Step-aware Advantages

Recent advances in flow matching models, particularly with reinforcement learning (RL), have significantly enhanced human preference alignment in few-step text-to-image generators. However, existing RL-based approaches for flow matching models typically rely on numerous denoising steps, while suffering from sparse and imprecise reward signals that often lead to suboptimal alignment. To address these limitations, we propose Temperature-Annealed Few-step Sampling with Group Relative Policy Optimization (TAFS-GRPO), a novel framework for training flow matching text-to-image models into efficient few-step generators well aligned with human preferences. Our method iteratively injects adaptive time-dependent noise into one-step clean predictions. By repeatedly annealing the model's sampled outputs, it introduces stochasticity into the sampling process while preserving the semantic integrity of each generated image. Moreover, its step-aware advantage integration mechanism combines GRPO with temperature-annealed sampling to eliminate the need for a differentiable reward function and provide dense, step-specific rewards for stable policy optimization. Extensive experiments demonstrate that TAFS-GRPO achieves strong performance in few-step text-to-image generation and significantly improves the alignment of generated images with human preferences. The code and models of this work will be available to facilitate further research.

cs.CV↗
arXiv2026

GRALS: GCN-Guided Redundancy-Aware Local Search for Minimum Vertex Cover

The minimum vertex cover (MVC) problem seeks to identify the smallest set of vertices that cover all edges in an undirected graph. As a fundamental NP-hard combinatorial optimization problem, MVC has been widely studied due to its applications in network analysis and system design. For large-scale instances, local search heuristics are among the most effective approaches, offering a practical trade-off between solution quality and computational efficiency. Most existing high-performance local search algorithms adopt a break-and-repair framework, where the repair process mainly restores feasibility but provides limited opportunities for enhancing the current solution's structure. We introduce GRALS, a local search framework that integrates vertex probability priors learned from a graph convolutional network with an expansion revelation elimination (ERE) operator. The learned priors guide the search toward promising regions, while the ERE operator dynamically identifies and eliminates redundant vertices to further enhance solution quality. Experiments conducted on 346 benchmark instances demonstrate that GRALS achieves the best-known solution for 335 instances, compared to 302 instances achieved by the strongest baseline. The advantage of GRALS is maintained across different time limits and is particularly evident on large-scale graphs with millions of vertices.

cs.AI↗
arXiv2026

A Survey of Agent Memory in the Second Half: Towards Self-Evolving and Long-Horizon Agents

Research in artificial intelligence is shifting from model innovations and benchmark scores towards problem definition and rigorous real-world evaluation. As the field enters the "second half," the central challenge becomes real utility in long-horizon, dynamic, and user-dependent settings such as agentic coding, deep research, and computer use, where LLM-based agents face context explosion beyond fixed context windows and must continuously accumulate, manage, and selectively reuse information across extended interactions. Memory, with hundreds of papers released in 2025, therefore emerges as the critical solution to fill this utility gap. Beyond passive storage, memory is increasingly the substrate through which agents self-evolve: short-term memory gates which experiences are perceived and abstracted during execution, while long-term memory consolidates them into reusable knowledge and skills, forming the loop through which agents improve from their own experience. In this survey, we provide a unified view of foundation agent memory along three dimensions: memory substrate (internal parametric state and external retrieval-augmented stores), cognitive mechanism (sensory, working, episodic, semantic, and procedural), and memory subject (user-centric personalization and agent-centric experience). We then analyze how memory is operated under single- and multi-agent topologies and highlight learning policies over memory operations, showing how memory management itself is becoming a trainable capability spanning reinforcement-learned context curation, experience consolidation at decision time, and the emerging ecosystem of portable, shareable agent skills. Finally, we review evaluation benchmarks and metrics for memory utility, and outline open challenges and future directions.

cs.CL↗
arXiv2026

SwanTale: Unified Multi-Speaker Speech and Audio Generation for Instruct and Zero-Shot Tasks

Speech and audio generation is often needed in animation dubbing, audio drama, movies, advertising, games, podcasts, and short-video production. In these scenarios, creators may need to design voices without reference recordings, control speaker styles with natural language, support acoustic scenes with environments and audio effects, and later reuse the designed voices. Therefore, it is important to support multi-speaker speech and audio generation for both instruct and zero-shot tasks. The instruct task requires a caption of the environment, speaker styles, and fine-grained content, while the zero-shot task uses reference audio together with the same fine-grained content. We address these tasks from both the data and model sides. First, we propose SwanData-Caption, which cleans raw speech and audio data, adds targeted synthetic coverage, and annotates diverse and accurate multi-level captions. Then, we propose SwanTale, a multi-speaker expressive speech and audio generation model that supports both zero-shot and instruct tasks. We introduce SwanVAE to support high-quality multi-audio-modality generation. Then, we adopt reward-conditioned quality control and Engram conditioning, along with Unified MoE for multi-task and multi-audio-modality modeling. In addition, we use curriculum learning and GRPO post-training to let the model progressively learn and strengthen its capabilities. Experimental results show that SwanTale leads on multiple key zero-shot and instruct metrics, achieves the best expressiveness scores in both tasks, and supports complex instruct generation involving multi-speaker speech and audio. Demos can be found at https://swanaigc.github.io/#swantale.

eess.AS↗
arXiv2026

SpecFormer: Mitigating Embedding and Attention Collapse via Spectral-Aware Transformer for Recommendation

Transformer architectures have achieved remarkable success across diverse domains; however, directly applying their standard self-attention mechanism to recommendation often yields suboptimal performance, sometimes even trailing behind well-designed simple recommendation models. In this paper, we reveal that this performance bottleneck stems from severe embedding and attention collapse unique to recommendation scenarios. The heterogeneity and long-tail nature of recommendation data lead to a severe spectral collapse dominated by a few principal singular values. We further theoretically demonstrate that this triggers a vicious cycle in recommendation model's forward and backward propagation, which accelerates embedding and attention collapse and limits the model's scaling capability with increased depth. To address these issues, we propose SpecFormer, a novel Spectral-Aware Transformer designed for mitigating embedding and attention collapse in recommendation. Specifically, SpecFormer introduces 1) a Learnable Spectral Softening module to dynamically smooth the singular values distribution of the input token embeddings; 2) a Spectrum-softened Attention mechanism to model feature interaction under a more uniform spectral distribution space; 3) a Spectral Residual Position Encoding via Taylor expansion of singular values, explicitly providing a spectral inductive bias for feature interactions. Extensive experiments on one industrial and two public datasets demonstrate that SpecFormer significantly outperforms state-of-the-art baselines. Notably, SpecFormer has been successfully deployed in a real-world commercial recommender system and exhibits exceptional scaling capabilities: stacking SpecFormer layers actively improves the attention effective rank and recommendation performance.

cs.IR↗
arXiv2026

Probing Quadruple Deformation in Transitional Nuclei via Angular Momentum Projection

Within the interacting boson model (IBM), a geometric analysis of transitional nuclei is carried out through angular momentum projection of the intrinsic coherent state. The results indicate that $K$-mixing effects in the calculations are typically negligible, validating the use of $K$-fixed projection for semiclassical analyses of the spin dependence of quadrupole deformation in the IBM. Further analysis indicates that in a rotating transitional system, quadrupole deformation is stretched with increasing angular momentum, providing a geometrically intuitive perspective on the commonly observed Jacobi-type transitions, as exemplified by the case studies of $^{160}$Gd and $^{162}$Dy. The method is additionally applied to the yrast states of $^{170}$Os to probe quadrupole deformation changes linked to the observed low-spin $B(E2)$ anomaly behavior, demonstrating the capability of IBM-based angular momentum projection in interpreting exotic collective phenomena.

nucl-th↗
arXiv2026

EntropyMoE: Entropy-Aware Sparse Expert Routing for Tokenizer-Free LLMs

Recent byte-level large language models (LLMs) have made tokenizer-free modeling increasingly competitive by grouping bytes into dynamically sized patches. However, existing byte-patch architectures still apply the same dense feed-forward computation to every patch. This uniform computation cannot adapt model capacity to variations in patch semantics and granularity. We address this limitation with EntropyMoE, a Mixture-of-Experts (MoE) architecture designed for dynamic byte patches. EntropyMoE replaces the dense feed-forward modules in the global patch Transformer with Top-K expert layers. Each dynamic patch serves as the basic unit of expert routing, and its byte coverage determines its contribution to workload accounting. The router selects experts directly from patch entropy, using the same granularity signal that underlies dynamic patch construction to organize sparse computation. Patch entropy and length jointly define the feature space for regulating expert specialization. Experiments show that EntropyMoE achieves the lowest held-out bits-per-byte among matched dense and sparse baselines while maintaining comparable downstream accuracy. These results establish patch entropy as an effective routing coordinate for sparse conditional computation and extend Mixture-of-Experts modeling beyond tokenizer-based representations.

cs.AI↗
arXiv2026

Same-sign dimuon probe of charged lepton flavor violation at electron-photon colliders

Observation of charged lepton flavor violation would constitute unambiguous evidence for physics beyond the Standard Model (SM). We identify a previously unexplored same-sign dimuon signature in electron--photon collisions, $γe^- \to e^+μ^-μ^-$, mediated by an axionlike particle (ALP) with flavor-violating $e$--$μ$ couplings. The absence of irreducible SM backgrounds and the on-shell production of the ALP render this channel intrinsically clean and highly sensitive, with only small residual backgrounds arising from detector effects. Such collisions can be realized via laser Compton backscattering at $e^+e^-$ colliders including BEPC-II with the BESIII detector, STCF, CEPC, and ILC. We find that STCF, CEPC, and ILC can probe couplings one to two orders of magnitude below existing bounds. This combination of resonant production, vanishing irreducible background, and same-sign topology would be difficult to achieve in conventional $e^+e^-$ or hadron-collider environments, establishing electron--photon collisions as a uniquely powerful probe of charged lepton flavor violation.

hep-ph↗
arXiv2026

Long-lived sterile neutrinos from axionlike particles at the Super Tau-Charm Facility

We study the search prospect of long-lived heavy neutral leptons (HNLs) pair produced in decays of axionlike particles (ALPs) at the proposed Super Tau--Charm Facility (STCF), focusing on the center-of-mass energy of $\sqrt{s}=3.773$ GeV. The ALPs are assumed to originate from $D^\pm$-meson decays in association with a charged pion. We perform both truth-level and detector-level Monte Carlo simulations and obtain the expected sensitivity reach to the mixing parameter between the HNL and the electron neutrino, $|V_{eN}|^2$, with a displaced-vertex search at STCF. We find that STCF can probe values of $|V_{eN}|^2$ about one-to-two orders of magnitude beyond the existing bounds. We also perform an approximate reinterpretation of a search for HNLs at the CHARM experiment, which is subject to model-dependent assumptions on the production and kinematic distributions, and find that beam-dump experiments may provide strong complementary constraints.

hep-ph↗