arXiv subjects

Yongkang Wang

Publications and source records attributed to Yongkang Wang.

At least 19 recordsLinked to original sources

arXiv2026

Deep Situation-Aware Interaction Network for Click-Through Rate Prediction

User behavior sequence modeling plays a significant role in Click-Through Rate (CTR) prediction on e-commerce platforms. Except for the interacted items, user behaviors contain rich interaction information, such as the behavior type, time, location, etc. However, so far, the information related to user behaviors has not yet been fully exploited. In the paper, we propose the concept of a situation and situational features for distinguishing interaction behaviors and then design a CTR model named Deep Situation-Aware Interaction Network (DSAIN). DSAIN first adopts the reparameterization trick to reduce noise in the original user behavior sequences. Then it learns the embeddings of situational features by feature embedding parameterization and tri-directional correlation fusion. Finally, it obtains the embedding of behavior sequence via heterogeneous situation aggregation. We conduct extensive offline experiments on three real-world datasets. Experimental results demonstrate the superiority of the proposed DSAIN model. More importantly, DSAIN has increased the CTR by 2.70\%, the CPM by 2.62\%, and the GMV by 2.16\% in the online A/B test. Now, DSAIN has been deployed on the Meituan food delivery platform and serves the main traffic of the Meituan takeout app.

cs.IR↗

arXiv2025

Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces

Hydrophobic solid-water interfaces underpin processes in nanofluidics, electrochemistry, and energy technologies. Microscopic insights into these systems are often inferred from our understanding of the air-water interface, which is assumed to exhibit similar behavior. Here, we challenge this paradigm by combining heterodyne-detected vibrational sum-frequency generation spectroscopy with machine-learning molecular dynamics simulations at first-principles accuracy to investigate the graphene-NaCl(aq) interface as a prototypical hydrophobic solid-water system. Spectroscopic results suggest that ions have a minimal effect on the structure of the interfacial water, while simulations reveal that Na$^{+}$ and Cl$^{-}$ accumulate densely at the surface. Together, these findings reveal a new adsorption mechanism that departs from the established air-water interface paradigm, where interfacial ion adsorption is typically associated with, and often detected through, pronounced alteration of the interfacial water alignment and orientation. This difference arises because ions cannot penetrate the solid boundary and reside at a similar depth as the interfacial water molecules. As a consequence, large ion populations can be accommodated within the extended two-dimensional hydrogen-bond network at the interface, causing only minor local distortions but significant changes to its longer-range connectivity. These results reveal a distinct mechanism of electrolyte organization at aqueous-carbon interfaces, relevant to energy applications, where performance is highly sensitive to the local organization of interfacial water.

physics.chem-ph↗

arXiv2025

Wetting Transparency of Graphene: A macroscopic Window but Nanoscopic Mirror

Graphene supported on a substrate in contact with water underpins a wide range of processes and technologies, yet its wettability remains controversial. Understanding how substrate charges and graphene's properties influence water organization is crucial. Here, we combine heterodyne-detected sum-frequency generation (HD-SFG) spectroscopy with molecular dynamics simulations to investigate CaF$_2$-supported graphene interfaces in contact with water. We find that interfacial water orientation is primarily governed by the CaF$_2$ substrate's pH-dependent local electrostatics, confirming graphene's macroscopic wetting transparency. However, at the nanoscale, graphene's polarizability induces a local inversion of water's molecular orientation above substrate charges, revealing subtle structural ordering that is masked in spatially averaged measurements. These insights elucidate the molecular origins of graphene's wetting behavior and suggest new avenues to tailor interfacial phenomena in graphene-based nanofluidic, sensing, and energy applications.

physics.chem-ph↗

arXiv2025

On the Slipperiness of Surfactants: Charge-Mediated Friction Control at the Molecular Scale

From soap-covered dishes to freshly cleaned floors, surfactants can make surfaces slippery; yet, the underlying mechanism remains poorly understood. Here, we identify the molecular origin behind this ubiquitous phenomenon using macroscopic tribology and surface molecular spectroscopy. We demonstrate that reducing friction through surfactants hinges on charge complementarity: surfactants of opposite charge to the solid surface reduce friction even at extreme contact pressures, whereas like-charged or neutral surfactants are ineffective. Oppositely charged surfactants self-assemble into dense and robust molecular brushes, creating a persistent lubrication beyond the limits of conventional mechanisms. This charge-mediated approach offers a universal and scalable framework for friction control across length scales without significant surface modification.

physics.chem-ph↗

arXiv2025

On Negative-aware Preference Optimization for Recommendation

Recommendation systems leverage user interaction data to suggest relevant items while filtering out irrelevant (negative) ones. The rise of large language models (LLMs) has garnered increasing attention for their potential in recommendation tasks. However, existing methods for optimizing LLM-based recommenders face challenges in effectively utilizing negative samples. Simply integrating large numbers of negative samples can improve ranking accuracy and mitigate popularity bias but often leads to increased computational overhead and memory costs. Additionally, current approaches fail to account for the varying informativeness of negative samples, leading to suboptimal optimization performance. To address these issues, we propose NAPO (\textbf{N}egative-\textbf{A}ware \textbf{P}reference \textbf{O}ptimization), an enhanced framework for preference optimization in LLM-based recommendation. NAPO introduces two key innovations: (1) in-batch negative sharing, which expands the pool of negative samples without additional memory overhead, and (2) dynamic reward margin adjustment, which adapts model updates based on the confidence of negative samples. Extensive experiments on three public datasets demonstrate that NAPO outperforms existing methods in both recommendation accuracy and popularity bias reduction.

cs.IR↗

arXiv2025

A Novel Coded Computing Approach for Distributed Multi-Task Learning

Distributed multi-task learning (DMTL) effectively improves model generalization performance through the collaborative training of multiple related models. However, in large-scale learning scenarios, communication bottlenecks severely limit practical system performance. In this paper, we investigate the communication bottleneck within a typical DMTL system that employs non-linear global updates. This system involves distributed workers, assisted by a central server, who collaboratively learn distinct models derived from a non-linear aggregation of their local model parameters. We first characterize the communication process as a matrix decomposition problem. It transforms workers' data storage constraints into structural characteristics of the uplink encoding matrix, and worker data retrieval demands into Maximum Distance Separable (MDS) properties of the downlink encoding matrix. Building on this, we propose a novel coded DTML scheme that can greatly reduce the communication cost of the DTML with heterogeneous data placement. Theoretical analysis demonstrates that the proposed scheme achieves the theoretical lower bound for communication overhead under mild conditions. Remarkably, this optimality holds for both traditional homogeneous computing environments and various heterogeneous scenarios. Furthermore, our scheme is extensible to a distributed linearly separable computation problem where the target function involves multiple linear combinations of local update values. This indicates that our scheme offers a new way of tackling heterogeneous data placement challenges in various distributed applications.

cs.IT↗

arXiv2025

EGA-V1: Unifying Online Advertising with End-to-End Learning

Modern industrial advertising systems commonly employ Multi-stage Cascading Architectures (MCA) to balance computational efficiency with ranking accuracy. However, this approach presents two fundamental challenges: (1) performance inconsistencies arising from divergent optimization targets and capability differences between stages, and (2) failure to account for advertisement externalities - the complex interactions between candidate ads during ranking. These limitations ultimately compromise system effectiveness and reduce platform profitability. In this paper, we present EGA-V1, an end-to-end generative architecture that unifies online advertising ranking as one model. EGA-V1 replaces cascaded stages with a single model to directly generate optimal ad sequences from the full candidate ad corpus in location-based services (LBS). The primary challenges associated with this approach stem from high costs of feature processing and computational bottlenecks in modeling externalities of large-scale candidate pools. To address these challenges, EGA-V1 introduces an algorithm and engine co-designed hybrid feature service to decouple user and ad feature processing, reducing latency while preserving expressiveness. To efficiently extract intra- and cross-sequence mutual information, we propose RecFormer with an innovative cluster-attention mechanism as its core architectural component. Furthermore, we propose a bi-stage training strategy that integrates pre-training with reinforcement learning-based post-training to meet sophisticated platform and advertising objectives. Extensive offline evaluations on public benchmarks and large-scale online A/B testing on industrial advertising platform have demonstrated the superior performance of EGA-V1 over state-of-the-art MCAs.

cs.IR↗

arXiv2025

EGA-V2: An End-to-end Generative Framework for Industrial Advertising

Traditional online industrial advertising systems suffer from the limitations of multi-stage cascaded architectures, which often discard high-potential candidates prematurely and distribute decision logic across disconnected modules. While recent generative recommendation approaches provide end-to-end solutions, they fail to address critical advertising requirements of key components for real-world deployment, such as explicit bidding, creative selection, ad allocation, and payment computation. To bridge this gap, we introduce End-to-End Generative Advertising (EGA-V2), the first unified framework that holistically models user interests, point-of-interest (POI) and creative generation, ad allocation, and payment optimization within a single generative model. Our approach employs hierarchical tokenization and multi-token prediction to jointly generate POI recommendations and ad creatives, while a permutation-aware reward model and token-level bidding strategy ensure alignment with both user experiences and advertiser objectives. Additionally, we decouple allocation from payment using a differentiable ex-post regret minimization mechanism, guaranteeing approximate incentive compatibility at the POI level. Through extensive offline evaluations we demonstrate that EGA-V2 significantly outperforms traditional cascaded systems in both performance and practicality. Our results highlight its potential as a pioneering fully generative advertising solution, paving the way for next-generation industrial ad systems.

cs.IR↗

arXiv2025

Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface

Boron, nitrogen and carbon are neighbors in the periodic table and can form strikingly similar twin structures-hexagonal boron nitride (hBN) and graphene-yet nanofluidic experiments demonstrate drastically different water friction on them. We investigate this discrepancy by probing the interfacial water and atomic-scale properties of hBN using surface-specific vibrational spectroscopy, atomic-resolution atomic force microscopy (AFM), and machine learning-based molecular dynamics. Spectroscopy reveals that pristine hBN acquires significant negative charges upon contacting water at neutral pH, unlike hydrophobic graphene, leading to interfacial water alignment and stronger hydrogen bonding. AFM supports that this charging is not defect-induced. pH-dependent measurements suggest OH- chemisorption and physisorption, which simulations validate as two nearly equally stable states undergoing dynamic exchange. These findings challenge the notion of hBN as chemically inert and hydrophobic, revealing its spontaneous surface charging and Janus nature, and providing molecular insights into its higher water friction compared to carbon surfaces.

physics.chem-ph↗

arXiv2024

Improving Paratope and Epitope Prediction by Multi-Modal Contrastive Learning and Interaction Informativeness Estimation

Accurately predicting antibody-antigen binding residues, i.e., paratopes and epitopes, is crucial in antibody design. However, existing methods solely focus on uni-modal data (either sequence or structure), disregarding the complementary information present in multi-modal data, and most methods predict paratopes and epitopes separately, overlooking their specific spatial interactions. In this paper, we propose a novel Multi-modal contrastive learning and Interaction informativeness estimation-based method for Paratope and Epitope prediction, named MIPE, by using both sequence and structure data of antibodies and antigens. MIPE implements a multi-modal contrastive learning strategy, which maximizes representations of binding and non-binding residues within each modality and meanwhile aligns uni-modal representations towards effective modal representations. To exploit the spatial interaction information, MIPE also incorporates an interaction informativeness estimation that computes the estimated interaction matrices between antibodies and antigens, thereby approximating them to the actual ones. Extensive experiments demonstrate the superiority of our method compared to baselines. Additionally, the ablation studies and visualizations demonstrate the superiority of MIPE owing to the better representations acquired through multi-modal contrastive learning and the interaction patterns comprehended by the interaction informativeness estimation.

q-bio.BM↗

arXiv2024

Interfaces Govern Structure of Angstrom-scale Confined Water

Water plays a crucial role in geological, biological, and technological processes. Nanoscale water confinement occurs in many of these settings, including sedimentary rocks, water channel proteins, and applications like desalination and water purification membranes. The structure and properties of water in nanoconfinement can differ significantly from bulk water, exhibiting, for instance, modified hydrogen bonds, dielectric constant, and phase transitions. Despite the importance of strongly nanoconfined water, experimentally elucidating the nanoconfinement effect on water, such as its orientation and hydrogen bond (H-bond) network, has remained challenging. Here, we study two-dimensionally nanoconfined aqueous electrolyte solutions with tunable confinement from nanoscale to angstrom-scale sandwiched between a graphene sheet and CaF2. We employ heterodyne-detection sum-frequency generation (HD-SFG) spectroscopy, a surface-specific vibrational spectroscopy capable of directly and selective probing water orientation and H-bond environment at interfaces and under confinement. Remarkably, the vibrational spectra of the nanoscale confined water can be described quantitatively by the sum of the individual water surface signals from the CaF2/water and water/graphene interfaces until the confinement reduces to angstrom-scale (< ~8 Å). Ab initio molecular dynamics simulations confirm our experimental observation. These results manifest that interfacial, rather than nanoconfinement effects, dominate the water structure until angstrom-level confinement.

physics.chem-ph↗

arXiv2024

Deep Automated Mechanism Design for Integrating Ad Auction and Allocation in Feed

E-commerce platforms usually present an ordered list, mixed with several organic items and an advertisement, in response to each user's page view request. This list, the outcome of ad auction and allocation processes, directly impacts the platform's ad revenue and gross merchandise volume (GMV). Specifically, the ad auction determines which ad is displayed and the corresponding payment, while the ad allocation decides the display positions of the advertisement and organic items. The prevalent methods of segregating the ad auction and allocation into two distinct stages face two problems: 1) Ad auction does not consider externalities, such as the influence of actual display position and context on ad Click-Through Rate (CTR); 2) The ad allocation, which utilizes the auction-winning ad's payment to determine the display position dynamically, fails to maintain incentive compatibility (IC) for the advertisement. For instance, in the auction stage employing the traditional Generalized Second Price (GSP) , even if the winning ad increases its bid, its payment remains unchanged. This implies that the advertisement cannot secure a better position and thus loses the opportunity to achieve higher utility in the subsequent ad allocation stage. Previous research often focused on one of the two stages, neglecting the two-stage problem, which may result in suboptimal outcomes...

cs.GT↗

arXiv2024

A Multi-Modal Contrastive Diffusion Model for Therapeutic Peptide Generation

Therapeutic peptides represent a unique class of pharmaceutical agents crucial for the treatment of human diseases. Recently, deep generative models have exhibited remarkable potential for generating therapeutic peptides, but they only utilize sequence or structure information alone, which hinders the performance in generation. In this study, we propose a Multi-Modal Contrastive Diffusion model (MMCD), fusing both sequence and structure modalities in a diffusion framework to co-generate novel peptide sequences and structures. Specifically, MMCD constructs the sequence-modal and structure-modal diffusion models, respectively, and devises a multi-modal contrastive learning strategy with intercontrastive and intra-contrastive in each diffusion timestep, aiming to capture the consistency between two modalities and boost model performance. The inter-contrastive aligns sequences and structures of peptides by maximizing the agreement of their embeddings, while the intra-contrastive differentiates therapeutic and non-therapeutic peptides by maximizing the disagreement of their sequence/structure embeddings simultaneously. The extensive experiments demonstrate that MMCD performs better than other state-of-theart deep generative methods in generating therapeutic peptides across various metrics, including antimicrobial/anticancer score, diversity, and peptide-docking.

q-bio.QM↗

arXiv2023

NMA: Neural Multi-slot Auctions with Externalities for Online Advertising

Online advertising driven by auctions brings billions of dollars in revenue for social networking services and e-commerce platforms. GSP auctions, which are simple and easy to understand for advertisers, have almost become the benchmark for ad auction mechanisms in the industry. However, most GSP-based industrial practices assume that the user click only relies on the ad itself, which overlook the effect of external items, referred to as externalities. Recently, DNA has attempted to upgrade GSP with deep neural networks and models local externalities to some extent. However, it only considers set-level contexts from auctions and ignores the order and displayed position of ads, which is still suboptimal. Although VCG-based multi-slot auctions (e.g., VCG, WVCG) make it theoretically possible to model global externalities (e.g., the order and positions of ads and so on), they lack an efficient balance of both revenue and social welfare. In this paper, we propose novel auction mechanisms named Neural Multi-slot Auctions (NMA) to tackle the above-mentioned challenges. Specifically, we model the global externalities effectively with a context-aware list-wise prediction module to achieve better performance. We design a list-wise deep rank module to guarantee incentive compatibility in end-to-end learning. Furthermore, we propose an auxiliary loss for social welfare to effectively reduce the decline of social welfare while maximizing revenue. Experiment results on both offline large-scale datasets and online A/B tests demonstrate that NMA obtains higher revenue with balanced social welfare than other existing auction mechanisms (i.e., GSP, DNA, WVCG) in industrial practice, and we have successfully deployed NMA on Meituan food delivery platform.

cs.AI↗

arXiv2023

TBIN: Modeling Long Textual Behavior Data for CTR Prediction

Click-through rate (CTR) prediction plays a pivotal role in the success of recommendations. Inspired by the recent thriving of language models (LMs), a surge of works improve prediction by organizing user behavior data in a \textbf{textual} format and using LMs to understand user interest at a semantic level. While promising, these works have to truncate the textual data to reduce the quadratic computational overhead of self-attention in LMs. However, it has been studied that long user behavior data can significantly benefit CTR prediction. In addition, these works typically condense user diverse interests into a single feature vector, which hinders the expressive capability of the model. In this paper, we propose a \textbf{T}extual \textbf{B}ehavior-based \textbf{I}nterest Chunking \textbf{N}etwork (TBIN), which tackles the above limitations by combining an efficient locality-sensitive hashing algorithm and a shifted chunk-based self-attention. The resulting user diverse interests are dynamically activated, producing user interest representation towards the target item. Finally, the results of both offline and online experiments on real-world food recommendation platform demonstrate the effectiveness of TBIN.

cs.IR↗

arXiv2023

Cross-Element Combinatorial Selection for Multi-Element Creative in Display Advertising

The effectiveness of ad creatives is greatly influenced by their visual appearance. Advertising platforms can generate ad creatives with different appearances by combining creative elements provided by advertisers. However, with the increasing number of ad creative elements, it becomes challenging to select a suitable combination from the countless possibilities. The industry's mainstream approach is to select individual creative elements independently, which often overlooks the importance of interaction between creative elements during the modeling process. In response, this paper proposes a Cross-Element Combinatorial Selection framework for multiple creative elements, termed CECS. In the encoder process, a cross-element interaction is adopted to dynamically adjust the expression of a single creative element based on the current candidate creatives. In the decoder process, the creative combination problem is transformed into a cascade selection problem of multiple creative elements. A pointer mechanism with a cascade design is used to model the associations among candidates. Comprehensive experiments on real-world datasets show that CECS achieved the SOTA score on offline metrics. Moreover, the CECS algorithm has been deployed in our industrial application, resulting in a significant 6.02% CTR and 10.37% GMV lift, which is beneficial to the business.

cs.IR↗

arXiv2023

MDDL: A Framework for Reinforcement Learning-based Position Allocation in Multi-Channel Feed

Nowadays, the mainstream approach in position allocation system is to utilize a reinforcement learning model to allocate appropriate locations for items in various channels and then mix them into the feed. There are two types of data employed to train reinforcement learning (RL) model for position allocation, named strategy data and random data. Strategy data is collected from the current online model, it suffers from an imbalanced distribution of state-action pairs, resulting in severe overestimation problems during training. On the other hand, random data offers a more uniform distribution of state-action pairs, but is challenging to obtain in industrial scenarios as it could negatively impact platform revenue and user experience due to random exploration. As the two types of data have different distributions, designing an effective strategy to leverage both types of data to enhance the efficacy of the RL model training has become a highly challenging problem. In this study, we propose a framework named Multi-Distribution Data Learning (MDDL) to address the challenge of effectively utilizing both strategy and random data for training RL models on mixed multi-distribution data. Specifically, MDDL incorporates a novel imitation learning signal to mitigate overestimation problems in strategy data and maximizes the RL signal for random data to facilitate effective learning. In our experiments, we evaluated the proposed MDDL framework in a real-world position allocation system and demonstrated its superior performance compared to the previous baseline. MDDL has been fully deployed on the Meituan food delivery platform and currently serves over 300 million users.

cs.IR↗

arXiv2023

PIER: Permutation-Level Interest-Based End-to-End Re-ranking Framework in E-commerce

Re-ranking draws increased attention on both academics and industries, which rearranges the ranking list by modeling the mutual influence among items to better meet users' demands. Many existing re-ranking methods directly take the initial ranking list as input, and generate the optimal permutation through a well-designed context-wise model, which brings the evaluation-before-reranking problem. Meanwhile, evaluating all candidate permutations brings unacceptable computational costs in practice. Thus, to better balance efficiency and effectiveness, online systems usually use a two-stage architecture which uses some heuristic methods such as beam-search to generate a suitable amount of candidate permutations firstly, which are then fed into the evaluation model to get the optimal permutation. However, existing methods in both stages can be improved through the following aspects. As for generation stage, heuristic methods only use point-wise prediction scores and lack an effective judgment. As for evaluation stage, most existing context-wise evaluation models only consider the item context and lack more fine-grained feature context modeling. This paper presents a novel end-to-end re-ranking framework named PIER to tackle the above challenges which still follows the two-stage architecture and contains two mainly modules named FPSM and OCPM. We apply SimHash in FPSM to select top-K candidates from the full permutation based on user's permutation-level interest in an efficient way. Then we design a novel omnidirectional attention mechanism in OCPM to capture the context information in the permutation. Finally, we jointly train these two modules end-to-end by introducing a comparative learning loss. Offline experiment results demonstrate that PIER outperforms baseline models on both public and industrial datasets, and we have successfully deployed PIER on Meituan food delivery platform.

cs.IR↗