Warmup Generations: A Task-Agnostic Approach for Guiding Sequence-to-Sequence Learning with Unsupervised Initial State Generation

Traditional supervised fine-tuning (SFT) strategies for sequence-to-sequence tasks often train models to directly generate the target output. Recent work has shown that guiding models with intermediate steps, such as keywords, outlines, or reasoning chains, can significantly improve performance, coherence, and interpretability. However, these methods often depend on predefined intermediate formats and annotated data, limiting their scalability and generalizability. In this work, we introduce a task-agnostic framework that enables models to generate intermediate "warmup" sequences. These warmup sequences, serving as an initial state for subsequent generation, are optimized to enhance the probability of generating the target sequence without relying on external supervision or human-designed structures. Drawing inspiration from reinforcement learning principles, our method iteratively refines these intermediate steps to maximize their contribution to the final output, similar to reward-driven optimization in reinforcement learning with human feedback. Experimental results across tasks such as translation, summarization, and multi-choice question answering for logical reasoning show that our approach outperforms traditional SFT methods, and offers a scalable and flexible solution for sequence-to-sequence tasks.

3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery

Structure-based drug discovery, encompassing the tasks of protein-ligand docking and pocket-aware 3D drug design, represents a core challenge in drug discovery. However, no existing work can deal with both tasks to effectively leverage the duality between them, and current methods for each task are hindered by challenges in modeling 3D information and the limitations of available data. To address these issues, we propose 3DMolFormer, a unified dual-channel transformer-based framework applicable to both docking and 3D drug design tasks, which exploits their duality by utilizing docking functionalities within the drug design process. Specifically, we represent 3D pocket-ligand complexes using parallel sequences of discrete tokens and continuous numbers, and we design a corresponding dual-channel transformer model to handle this format, thereby overcoming the challenges of 3D information modeling. Additionally, we alleviate data limitations through large-scale pre-training on a mixed dataset, followed by supervised and reinforcement learning fine-tuning techniques respectively tailored for the two tasks. Experimental results demonstrate that 3DMolFormer outperforms previous approaches in both protein-ligand docking and pocket-aware 3D drug design, highlighting its promising application in structure-based drug discovery. The code is available at: https://github.com/HXYfighter/3DMolFormer .

CorrDiff: Adaptive Delay-aware Detector with Temporal Cue Inputs for Real-time Object Detection

Real-time object detection takes an essential part in the decision-making process of numerous real-world applications, including collision avoidance and path planning in autonomous driving systems. This paper presents a novel real-time streaming perception method named CorrDiff, designed to tackle the challenge of delays in real-time detection systems. The main contribution of CorrDiff lies in its adaptive delay-aware detector, which is able to utilize runtime-estimated temporal cues to predict objects' locations for multiple future frames, and selectively produce predictions that matches real-world time, effectively compensating for any communication and computational delays. The proposed model outperforms current state-of-the-art methods by leveraging motion estimation and feature enhancement, both for 1) single-frame detection for the current frame or the next frame, in terms of the metric mAP, and 2) the prediction for (multiple) future frame(s), in terms of the metric sAP (The sAP metric is to evaluate object detection algorithms in streaming scenarios, factoring in both latency and accuracy). It demonstrates robust performance across a range of devices, from powerful Tesla V100 to modest RTX 2080Ti, achieving the highest level of perceptual accuracy on all platforms. Unlike most state-of-the-art methods that struggle to complete computation within a single frame on less powerful devices, CorrDiff meets the stringent real-time processing requirements on all kinds of devices. The experimental results emphasize the system's adaptability and its potential to significantly improve the safety and reliability for many real-world systems, such as autonomous driving. Our code is completely open-sourced and is available at https://anonymous.4open.science/r/CorrDiff.

ParetoFlow: Guided Flows in Multi-Objective Optimization

In offline multi-objective optimization (MOO), we leverage an offline dataset of designs and their associated labels to simultaneously minimize multiple objectives. This setting more closely mirrors complex real-world problems compared to single-objective optimization. Recent works mainly employ evolutionary algorithms and Bayesian optimization, with limited attention given to the generative modeling capabilities inherent in such data. In this study, we explore generative modeling in offline MOO through flow matching, noted for its effectiveness and efficiency. We introduce ParetoFlow, specifically designed to guide flow sampling to approximate the Pareto front. Traditional predictor (classifier) guidance is inadequate for this purpose because it models only a single objective. In response, we propose a multi-objective predictor guidance module that assigns each sample a weight vector, representing a weighted distribution across multiple objective predictions. A local filtering scheme is introduced to address non-convex Pareto fronts. These weights uniformly cover the entire objective space, effectively directing sample generation towards the Pareto front. Since distributions with similar weights tend to generate similar samples, we introduce a neighboring evolution module to foster knowledge sharing among neighboring distributions. This module generates offspring from these distributions, and selects the most promising one for the next iteration. Our method achieves state-of-the-art performance across various tasks.

GeneQuery: A General QA-based Framework for Spatial Gene Expression Predictions from Histology Images

Gene expression profiling provides profound insights into molecular mechanisms, but its time-consuming and costly nature often presents significant challenges. In contrast, whole-slide hematoxylin and eosin (H&E) stained histological images are readily accessible and allow for detailed examinations of tissue structure and composition at the microscopic level. Recent advancements have utilized these histological images to predict spatially resolved gene expression profiles. However, state-of-the-art works treat gene expression prediction as a multi-output regression problem, where each gene is learned independently with its own weights, failing to capture the shared dependencies and co-expression patterns between genes. Besides, existing works can only predict gene expression values for genes seen during training, limiting their ability to generalize to new, unseen genes. To address the above limitations, this paper presents GeneQuery, which aims to solve this gene expression prediction task in a question-answering (QA) manner for better generality and flexibility. Specifically, GeneQuery takes gene-related texts as queries and whole-slide images as contexts and then predicts the queried gene expression values. With such a transformation, GeneQuery can implicitly estimate the gene distribution by introducing the gene random variable. Besides, the proposed GeneQuery consists of two architecture implementations, i.e., spot-aware GeneQuery for capturing patterns between images and gene-aware GeneQuery for capturing patterns between genes. Comprehensive experiments on spatial transcriptomics datasets show that the proposed GeneQuery outperforms existing state-of-the-art methods on known and unseen genes. More results also demonstrate that GeneQuery can potentially analyze the tissue structure.

Fusion Matters: Learning Fusion in Deep Click-through Rate Prediction Models

The evolution of previous Click-Through Rate (CTR) models has mainly been driven by proposing complex components, whether shallow or deep, that are adept at modeling feature interactions. However, there has been less focus on improving fusion design. Instead, two naive solutions, stacked and parallel fusion, are commonly used. Both solutions rely on pre-determined fusion connections and fixed fusion operations. It has been repetitively observed that changes in fusion design may result in different performances, highlighting the critical role that fusion plays in CTR models. While there have been attempts to refine these basic fusion strategies, these efforts have often been constrained to specific settings or dependent on specific components. Neural architecture search has also been introduced to partially deal with fusion design, but it comes with limitations. The complexity of the search space can lead to inefficient and ineffective results. To bridge this gap, we introduce OptFusion, a method that automates the learning of fusion, encompassing both the connection learning and the operation selection. We have proposed a one-shot learning algorithm tackling these tasks concurrently. Our experiments are conducted over three large-scale datasets. Extensive experiments prove both the effectiveness and efficiency of OptFusion in improving CTR model performance. Our code implementation is available here\url{https://github.com/kexin-kxzhang/OptFusion}.

Modeling Multivariable High-resolution 3D Urban Microclimate Using Localized Fourier Neural Operator

Accurate urban microclimate analysis with wind velocity and temperature is vital for energy-efficient urban planning, supporting carbon reduction, enhancing public health and comfort, and advancing the low-altitude economy. However, traditional computational fluid dynamics (CFD) simulations that couple velocity and temperature are computationally expensive. Recent machine learning advancements offer promising alternatives for accelerating urban microclimate simulations. The Fourier neural operator (FNO) has shown efficiency and accuracy in predicting single-variable velocity magnitudes in urban wind fields. Yet, for multivariable high-resolution 3D urban microclimate prediction, FNO faces three key limitations: blurry output quality, high GPU memory demand, and substantial data requirements. To address these issues, we propose a novel localized Fourier neural operator (Local-FNO) model that employs local training, geometry encoding, and patch overlapping. Local-FNO provides accurate predictions for rapidly changing turbulence in urban microclimate over 60 seconds, four times the average turbulence integral time scale, with an average error of 0.35 m/s in velocity and 0.30 {\deg}C in temperature. It also accurately captures turbulent heat flux represented by the velocity-temperature correlation. In a 2 km by 2 km domain, Local-FNO resolves turbulence patterns down to a 10 m resolution. It provides high-resolution predictions with 150 million feature dimensions on a single 32 GB GPU at nearly 50 times the speed of a CFD solver. Compared to FNO, Local-FNO achieves a 23.9% reduction in prediction error and a 47.3% improvement in turbulent fluctuation correlation.

Towards Edge General Intelligence via Large Language Models: Opportunities and Challenges

Edge Intelligence (EI) has been instrumental in delivering real-time, localized services by leveraging the computational capabilities of edge networks. The integration of Large Language Models (LLMs) empowers EI to evolve into the next stage: Edge General Intelligence (EGI), enabling more adaptive and versatile applications that require advanced understanding and reasoning capabilities. However, systematic exploration in this area remains insufficient. This survey delineates the distinctions between EGI and traditional EI, categorizing LLM-empowered EGI into three conceptual systems: centralized, hybrid, and decentralized. For each system, we detail the framework designs and review existing implementations. Furthermore, we evaluate the performance and throughput of various Small Language Models (SLMs) that are more suitable for development on edge devices. This survey provides researchers with a comprehensive vision of EGI, offering insights into its vast potential and establishing a foundation for future advancements in this rapidly evolving field.

Hybrid LLM-DDQN based Joint Optimization of V2I Communication and Autonomous Driving

Large language models (LLMs) have received considerable interest recently due to their outstanding reasoning and comprehension capabilities. This work explores applying LLMs to vehicular networks, aiming to jointly optimize vehicle-to-infrastructure (V2I) communications and autonomous driving (AD) policies. We deploy LLMs for AD decision-making to maximize traffic flow and avoid collisions for road safety, and a double deep Q-learning algorithm (DDQN) is used for V2I optimization to maximize the received data rate and reduce frequent handovers. In particular, for LLM-enabled AD, we employ the Euclidean distance to identify previously explored AD experiences, and then LLMs can learn from past good and bad decisions for further improvement. Then, LLM-based AD decisions will become part of states in V2I problems, and DDQN will optimize the V2I decisions accordingly. After that, the AD and V2I decisions are iteratively optimized until convergence. Such an iterative optimization approach can better explore the interactions between LLMs and conventional reinforcement learning techniques, revealing the potential of using LLMs for network optimization and management. Finally, the simulations demonstrate that our proposed hybrid LLM-DDQN approach outperforms the conventional DDQN algorithm, showing faster convergence and higher average rewards.

Robust Guided Diffusion for Offline Black-Box Optimization

Offline black-box optimization aims to maximize a black-box function using an offline dataset of designs and their measured properties. Two main approaches have emerged: the forward approach, which learns a mapping from input to its value, thereby acting as a proxy to guide optimization, and the inverse approach, which learns a mapping from value to input for conditional generation. (a) Although proxy-free~(classifier-free) diffusion shows promise in robustly modeling the inverse mapping, it lacks explicit guidance from proxies, essential for generating high-performance samples beyond the training distribution. Therefore, we propose \textit{proxy-enhanced sampling} which utilizes the explicit guidance from a trained proxy to bolster proxy-free diffusion with enhanced sampling control. (b) Yet, the trained proxy is susceptible to out-of-distribution issues. To address this, we devise the module \textit{diffusion-based proxy refinement}, which seamlessly integrates insights from proxy-free diffusion back into the proxy for refinement. To sum up, we propose \textit{\textbf{R}obust \textbf{G}uided \textbf{D}iffusion for Offline Black-box Optimization}~(\textbf{RGD}), combining the advantages of proxy~(explicit guidance) and proxy-free diffusion~(robustness) for effective conditional generation. RGD achieves state-of-the-art results on various design-bench tasks, underscoring its efficacy. Our code is at https://anonymous.4open.science/r/RGD-27A5/README.md.