Rethinking the generalization of drug target affinity prediction algorithms via similarity aware evaluation

Drug-target binding affinity prediction is a fundamental task for drug discovery. It has been extensively explored in literature and promising results are reported. However, in this paper, we demonstrate that the results may be misleading and cannot be well generalized to real practice. The core observation is that the canonical randomized split of a test set in conventional evaluation leaves the test set dominated by samples with high similarity to the training set. The performance of models is severely degraded on samples with lower similarity to the training set but the drawback is highly overlooked in current evaluation. As a result, the performance can hardly be trusted when the model meets low-similarity samples in real practice. To address this problem, we propose a framework of similarity aware evaluation in which a novel split methodology is proposed to adapt to any desired distribution. This is achieved by a formulation of optimization problems which are approximately and efficiently solved by gradient descent. We perform extensive experiments across five representative methods in four datasets for two typical target evaluations and compare them with various counterpart methods. Results demonstrate that the proposed split methodology can significantly better fit desired distributions and guide the development of models. Code is released at https://github.com/Amshoreline/SAE/tree/main.

PathOrchestra: A Comprehensive Foundation Model for Computational Pathology with Over 100 Diverse Clinical-Grade Tasks

The complexity and variability inherent in high-resolution pathological images present significant challenges in computational pathology. While pathology foundation models leveraging AI have catalyzed transformative advancements, their development demands large-scale datasets, considerable storage capacity, and substantial computational resources. Furthermore, ensuring their clinical applicability and generalizability requires rigorous validation across a broad spectrum of clinical tasks. Here, we present PathOrchestra, a versatile pathology foundation model trained via self-supervised learning on a dataset comprising 300K pathological slides from 20 tissue and organ types across multiple centers. The model was rigorously evaluated on 112 clinical tasks using a combination of 61 private and 51 public datasets. These tasks encompass digital slide preprocessing, pan-cancer classification, lesion identification, multi-cancer subtype classification, biomarker assessment, gene expression prediction, and the generation of structured reports. PathOrchestra demonstrated exceptional performance across 27,755 WSIs and 9,415,729 ROIs, achieving over 0.950 accuracy in 47 tasks, including pan-cancer classification across various organs, lymphoma subtype diagnosis, and bladder cancer screening. Notably, it is the first model to generate structured reports for high-incidence colorectal cancer and diagnostically complex lymphoma-areas that are infrequently addressed by foundational models but hold immense clinical potential. Overall, PathOrchestra exemplifies the feasibility and efficacy of a large-scale, self-supervised pathology foundation model, validated across a broad range of clinical-grade tasks. Its high accuracy and reduced reliance on extensive data annotation underline its potential for clinical integration, offering a pathway toward more efficient and high-quality medical services.

Think Before Recommend: Unleashing the Latent Reasoning Power for Sequential Recommendation

Sequential Recommendation (SeqRec) aims to predict the next item by capturing sequential patterns from users' historical interactions, playing a crucial role in many real-world recommender systems. However, existing approaches predominantly adopt a direct forward computation paradigm, where the final hidden state of the sequence encoder serves as the user representation. We argue that this inference paradigm, due to its limited computational depth, struggles to model the complex evolving nature of user preferences and lacks a nuanced understanding of long-tail items, leading to suboptimal performance. To address this issue, we propose \textbf{ReaRec}, the first inference-time computing framework for recommender systems, which enhances user representations through implicit multi-step reasoning. Specifically, ReaRec autoregressively feeds the sequence's last hidden state into the sequential recommender while incorporating special reasoning position embeddings to decouple the original item encoding space from the multi-step reasoning space. Moreover, we introduce two lightweight reasoning-based learning methods, Ensemble Reasoning Learning (ERL) and Progressive Reasoning Learning (PRL), to further effectively exploit ReaRec's reasoning potential. Extensive experiments on five public real-world datasets and different SeqRec architectures demonstrate the generality and effectiveness of our proposed ReaRec. Remarkably, post-hoc analyses reveal that ReaRec significantly elevates the performance ceiling of multiple sequential recommendation backbones by approximately 30\%-50\%. Thus, we believe this work can open a new and promising avenue for future research in inference-time computing for sequential recommendation.

Joint Size and Placement Optimization for IRS-Aided Communications with Active and Passive Elements

Different types of intelligent reflecting surfaces (IRS) are exploited for assisting wireless communications. The joint use of passive IRS (PIRS) and active IRS (AIRS) emerges as a promising solution owing to their complementary advantages. They can be integrated into a single hybrid active-passive IRS (HIRS) or deployed in a distributed manner, which poses challenges in determining the IRS element allocation and placement for rate maximization. In this paper, we investigate the capacity of an IRS-aided wireless communication system with both active and passive elements. Specifically, we consider three deployment schemes: 1) base station (BS)-HIRS-user (BHU); 2) BS-AIRS-PIRS-user (BAPU); 3) BS-PIRS-AIRS-user (BPAU). Under the line-of-sight channel model, we formulate a rate maximization problem via a joint optimization of the IRS element allocation and placement. We first derive the optimized number of active and passive elements for BHU, BAPU, and BPAU schemes, respectively. Then, low-complexity HIRS/AIRS placement strategies are provided. To obtain more insights, we characterize the system capacity scaling orders for the three schemes with respect to the large total number of IRS elements, amplification power budget, and BS transmit power. Finally, simulation results are presented to validate our theoretical findings and show the performance difference among the BHU, BAPU, and BPAU schemes with the proposed joint design under various system setups.

Research on the Offshore Marine Communication Environment Based on Satellite Remote Sensing Data

Air-sea interface fluxes significantly impact the reliability and efficiency of maritime communication. Compared to sparse in-situ ocean observations, satellite remote sensing data offers broader coverage and extended temporal span. This study utilizes COARE V3.5 algorithm to calculate momentum flux, sensible heat flux, and latent heat flux at the air-sea interface, based on satellite synthetic aperture radar (SAR) wind speed data, reanalysis data, and buoy measurements, combined with neural network methods. Findings indicate that SAR wind speed data corrected via neural networks show improved consistency with buoy-measured wind speeds in flux calculations. Specifically, the bias in friction velocity decreased from -0.03 m/s to 0.01 m/s, wind stress bias from -0.03 N/m^2 to 0.00 N/m^2, drag coefficient bias from -0.29 to -0.21, latent heat flux bias from -8.32 W/m^2 to 5.41 W/m^2, and sensible heat flux bias from 0.67 W/m^2 to 0.06 W/m^2. Results suggest that the neural network-corrected SAR wind speed data can provide more reliable environmental data for maritime communication.

Bursting Filter Bubble: Enhancing Serendipity Recommendations with Aligned Large Language Models

Recommender systems (RSs) often suffer from the feedback loop phenomenon, e.g., RSs are trained on data biased by their recommendations. This leads to the filter bubble effect that reinforces homogeneous content and reduces user satisfaction. To this end, serendipity recommendations, which offer unexpected yet relevant items, are proposed. Recently, large language models (LLMs) have shown potential in serendipity prediction due to their extensive world knowledge and reasoning capabilities. However, they still face challenges in aligning serendipity judgments with human assessments, handling long user behavior sequences, and meeting the latency requirements of industrial RSs. To address these issues, we propose SERAL (Serendipity Recommendations with Aligned Large Language Models), a framework comprising three stages: (1) Cognition Profile Generation to compress user behavior into multi-level profiles; (2) SerenGPT Alignment to align serendipity judgments with human preferences using enriched training data; and (3) Nearline Adaptation to integrate SerenGPT into industrial RSs pipelines efficiently. Online experiments demonstrate that SERAL improves exposure ratio (PVR), clicks, and transactions of serendipitous items by 5.7%, 29.56%, and 27.6%, enhancing user experience without much impact on overall revenue. Now, it has been fully deployed in the "Guess What You Like" of the Taobao App homepage.

Vehicular Multi-Tier Distributed Computing with Hybrid THz-RF Transmission in Satellite-Terrestrial Integrated Networks

In this paper, we propose a Satellite-Terrestrial Integrated Network (STIN) assisted vehicular multi-tier distributed computing (VMDC) system leveraging hybrid terahertz (THz) and radio frequency (RF) communication technologies. Task offloading for satellite edge computing is enabled by THz communication using the orthogonal frequency division multiple access (OFDMA) technique. For terrestrial edge computing, we employ non-orthogonal multiple access (NOMA) and vehicle clustering to realize task offloading. We formulate a non-convex optimization problem aimed at maximizing computation efficiency by jointly optimizing bandwidth allocation, task allocation, subchannel-vehicle matching and power allocation. To address this non-convex optimization problem, we decompose the original problem into four sub-problems and solve them using an alternating iterative optimization approach. For the subproblem of task allocation, we solve it by linear programming. To solve the subproblem of sub-channel allocation, we exploit many-to-one matching theory to obtain the result. The subproblem of bandwidth allocation of OFDMA and the subproblem of power allocation of NOMA are solved by quadratic transformation method. Finally, the simulation results show that our proposed scheme significantly enhances the computation efficiency of the STIN-based VMDC system compared with the benchmark schemes.

Intelligent Reflecting Surfaces Aided Wireless Network: Deployment Architectures and Solutions

Intelligent reflecting surfaces (IRSs) have emerged as a transformative technology for wireless networks by improving coverage, capacity, and energy efficiency through intelligent manipulation of wireless propagation environments. This paper provides a comprehensive study on the deployment and coordination of IRSs for wireless networks. By addressing both single- and multi-reflection IRS architectures, we examine their deployment strategies across diverse scenarios, including point-to-point, point-to-multipoint, and point-to-area setups. For the single-reflection case, we highlight the trade-offs between passive and active IRS architectures in terms of beamforming gain, coverage extension, and spatial multiplexing. For the multi-reflection case, we discuss practical strategies to optimize IRS deployment and element allocation, balancing cooperative beamforming gains and path loss. The paper further discusses practical challenges in IRS implementation, including environmental conditions, system compatibility, and hardware limitations. Numerical results and field tests validate the effectiveness of IRS-aided wireless networks and demonstrate their capacity and coverage improvements. Lastly, promising research directions, including movable IRSs, near-field deployments, and network-level optimization, are outlined to guide future investigations.

Decision Transformers for RIS-Assisted Systems with Diffusion Model-Based Channel Acquisition

Reconfigurable intelligent surfaces (RISs) have been recognized as a revolutionary technology for future wireless networks. However, RIS-assisted communications have to continuously tune phase-shifts relying on accurate channel state information (CSI) that is generally difficult to obtain due to the large number of RIS channels. The joint design of CSI acquisition and subsection RIS phase-shifts remains a significant challenge in dynamic environments. In this paper, we propose a diffusion-enhanced decision Transformer (DEDT) framework consisting of a diffusion model (DM) designed for efficient CSI acquisition and a decision Transformer (DT) utilized for phase-shift optimizations. Specifically, we first propose a novel DM mechanism, i.e., conditional imputation based on denoising diffusion probabilistic model, for rapidly acquiring real-time full CSI by exploiting the spatial correlations inherent in wireless channels. Then, we optimize beamforming schemes based on the DT architecture, which pre-trains on historical environments to establish a robust policy model. Next, we incorporate a fine-tuning mechanism to ensure rapid beamforming adaptation to new environments, eliminating the retraining process that is imperative in conventional reinforcement learning (RL) methods. Simulation results demonstrate that DEDT can enhance efficiency and adaptability of RIS-aided communications with fluctuating channel conditions compared to state-of-the-art RL methods.

Movable Antennas Enabled ISAC Systems: Fundamentals, Opportunities, and Future Directions

The movable antenna (MA)-enabled integrated sensing and communication (ISAC) system attracts widespread attention as an innovative framework. The ISAC system integrates sensing and communication functions, achieving resource sharing across various domains, significantly enhancing communication and sensing performance, and promoting the intelligent interconnection of everything. Meanwhile, MA utilizes the spatial variations of wireless channels by dynamically adjusting the positions of MA elements at the transmitter and receiver to improve the channel and further enhance the performance of the ISAC systems. In this paper, we first outline the fundamental principles of MA and introduce the application scenarios of MA-enabled ISAC systems. Then, we summarize the advantages of MA-enabled ISAC systems in enhancing spectral efficiency, achieving flexible and precise beamforming, and making the signal coverage range adjustable. Besides, a specific case is studied to show the performance gains in terms of transmit power that MA brings to ISAC systems. Finally, we discuss the challenges of MA-enabled ISAC and future research directions, aiming to provide insights for future research on MA-enabled ISAC systems.