AANet: Virtual Screening under Structural Uncertainty via Alignment and Aggregation

Virtual screening (VS) is a critical component of modern drug discovery, yet most existing methods--whether physics-based or deep learning-based--are developed around holo protein structures with known ligand-bound pockets. Consequently, their performance degrades significantly on apo or predicted structures such as those from AlphaFold2, which are more representative of real-world early-stage drug discovery, where pocket information is often missing. In this paper, we introduce an alignment-and-aggregation framework to enable accurate virtual screening under structural uncertainty. Our method comprises two core components: (1) a tri-modal contrastive learning module that aligns representations of the ligand, the holo pocket, and cavities detected from structures, thereby enhancing robustness to pocket localization error; and (2) a cross-attention based adapter for dynamically aggregating candidate binding sites, enabling the model to learn from activity data even without precise pocket annotations. We evaluated our method on a newly curated benchmark of apo structures, where it significantly outperforms state-of-the-art methods in blind apo setting, improving the early enrichment factor (EF1%) from 11.75 to 37.19. Notably, it also maintains strong performance on holo structures. These results demonstrate the promise of our approach in advancing first-in-class drug discovery, particularly in scenarios lacking experimentally resolved protein-ligand complexes.

PICD: Versatile Perceptual Image Compression with Diffusion Rendering

Recently, perceptual image compression has achieved significant advancements, delivering high visual quality at low bitrates for natural images. However, for screen content, existing methods often produce noticeable artifacts when compressing text. To tackle this challenge, we propose versatile perceptual screen image compression with diffusion rendering (PICD), a codec that works well for both screen and natural images. More specifically, we propose a compression framework that encodes the text and image separately, and renders them into one image using diffusion model. For this diffusion rendering, we integrate conditional information into diffusion models at three distinct levels: 1). Domain level: We fine-tune the base diffusion model using text content prompts with screen content. 2). Adaptor level: We develop an efficient adaptor to control the diffusion model using compressed image and text as input. 3). Instance level: We apply instance-wise guidance to further enhance the decoding process. Empirically, our PICD surpasses existing perceptual codecs in terms of both text accuracy and perceptual quality. Additionally, without text conditions, our approach serves effectively as a perceptual codec for natural images.

Towards Harnessing the Collaborative Power of Large and Small Models for Domain Tasks

Large language models (LLMs) have demonstrated remarkable capabilities, but they require vast amounts of data and computational resources. In contrast, smaller models (SMs), while less powerful, can be more efficient and tailored to specific domains. In this position paper, we argue that taking a collaborative approach, where large and small models work synergistically, can accelerate the adaptation of LLMs to private domains and unlock new potential in AI. We explore various strategies for model collaboration and identify potential challenges and opportunities. Building upon this, we advocate for industry-driven research that prioritizes multi-objective benchmarks on real-world private datasets and applications.

PharmAgents: Building a Virtual Pharma with Large Language Model Agents

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule therapeutics--is a highly complex, resource-intensive, and time-consuming process that requires multidisciplinary collaboration. Recent breakthroughs in artificial intelligence (AI), particularly the rise of large language models (LLMs), present a transformative opportunity to streamline and accelerate this process. In this paper, we introduce PharmAgents, a virtual pharmaceutical ecosystem driven by LLM-based multi-agent collaboration. PharmAgents simulates the full drug discovery workflow--from target discovery to preclinical evaluation--by integrating explainable, LLM-driven agents equipped with specialized machine learning models and computational tools. Through structured knowledge exchange and automated optimization, PharmAgents identifies potential therapeutic targets, discovers promising lead compounds, enhances binding affinity and key molecular properties, and performs in silico analyses of toxicity and synthetic feasibility. Additionally, the system supports interpretability, agent interaction, and self-evolvement, enabling it to refine future drug designs based on prior experience. By showcasing the potential of LLM-powered multi-agent systems in drug discovery, this work establishes a new paradigm for autonomous, explainable, and scalable pharmaceutical research, with future extensions toward comprehensive drug lifecycle management.

DAPO: An Open-Source LLM Reinforcement Learning System at Scale

Inference scaling empowers LLMs with unprecedented reasoning ability, with reinforcement learning as the core technique to elicit complex reasoning. However, key technical details of state-of-the-art reasoning LLMs are concealed (such as in OpenAI o1 blog and DeepSeek R1 technical report), thus the community still struggles to reproduce their RL training results. We propose the $\textbf{D}$ecoupled Clip and $\textbf{D}$ynamic s$\textbf{A}$mpling $\textbf{P}$olicy $\textbf{O}$ptimization ($\textbf{DAPO}$) algorithm, and fully open-source a state-of-the-art large-scale RL system that achieves 50 points on AIME 2024 using Qwen2.5-32B base model. Unlike previous works that withhold training details, we introduce four key techniques of our algorithm that make large-scale LLM RL a success. In addition, we open-source our training code, which is built on the verl framework, along with a carefully curated and processed dataset. These components of our open-source system enhance reproducibility and support future research in large-scale LLM RL.

CoopDETR: A Unified Cooperative Perception Framework for 3D Detection via Object Query

Cooperative perception enhances the individual perception capabilities of autonomous vehicles (AVs) by providing a comprehensive view of the environment. However, balancing perception performance and transmission costs remains a significant challenge. Current approaches that transmit region-level features across agents are limited in interpretability and demand substantial bandwidth, making them unsuitable for practical applications. In this work, we propose CoopDETR, a novel cooperative perception framework that introduces object-level feature cooperation via object query. Our framework consists of two key modules: single-agent query generation, which efficiently encodes raw sensor data into object queries, reducing transmission cost while preserving essential information for detection; and cross-agent query fusion, which includes Spatial Query Matching (SQM) and Object Query Aggregation (OQA) to enable effective interaction between queries. Our experiments on the OPV2V and V2XSet datasets demonstrate that CoopDETR achieves state-of-the-art performance and significantly reduces transmission costs to 1/782 of previous methods.

Rethinking Diffusion Posterior Sampling: From Conditional Score Estimator to Maximizing a Posterior

Recent advancements in diffusion models have been leveraged to address inverse problems without additional training, and Diffusion Posterior Sampling (DPS) (Chung et al., 2022a) is among the most popular approaches. Previous analyses suggest that DPS accomplishes posterior sampling by approximating the conditional score. While in this paper, we demonstrate that the conditional score approximation employed by DPS is not as effective as previously assumed, but rather aligns more closely with the principle of maximizing a posterior (MAP). This assertion is substantiated through an examination of DPS on 512x512 ImageNet images, revealing that: 1) DPS's conditional score estimation significantly diverges from the score of a well-trained conditional diffusion model and is even inferior to the unconditional score; 2) The mean of DPS's conditional score estimation deviates significantly from zero, rendering it an invalid score estimation; 3) DPS generates high-quality samples with significantly lower diversity. In light of the above findings, we posit that DPS more closely resembles MAP than a conditional score estimator, and accordingly propose the following enhancements to DPS: 1) we explicitly maximize the posterior through multi-step gradient ascent and projection; 2) we utilize a light-weighted conditional score estimator trained with only 100 images and 8 GPU hours. Extensive experimental results indicate that these proposed improvements significantly enhance DPS's performance. The source code for these improvements is provided in https://github.com/tongdaxu/Rethinking-Diffusion-Posterior-Sampling-From-Conditional-Score-Estimator-to-Maximizing-a-Posterior.

IROAM: Improving Roadside Monocular 3D Object Detection Learning from Autonomous Vehicle Data Domain

In autonomous driving, The perception capabilities of the ego-vehicle can be improved with roadside sensors, which can provide a holistic view of the environment. However, existing monocular detection methods designed for vehicle cameras are not suitable for roadside cameras due to viewpoint domain gaps. To bridge this gap and Improve ROAdside Monocular 3D object detection, we propose IROAM, a semantic-geometry decoupled contrastive learning framework, which takes vehicle-side and roadside data as input simultaneously. IROAM has two significant modules. In-Domain Query Interaction module utilizes a transformer to learn content and depth information for each domain and outputs object queries. Cross-Domain Query Enhancement To learn better feature representations from two domains, Cross-Domain Query Enhancement decouples queries into semantic and geometry parts and only the former is used for contrastive learning. Experiments demonstrate the effectiveness of IROAM in improving roadside detector's performance. The results validate that IROAM has the capabilities to learn cross-domain information.

International AI Safety Report

The first International AI Safety Report comprehensively synthesizes the current evidence on the capabilities, risks, and safety of advanced AI systems. The report was mandated by the nations attending the AI Safety Summit in Bletchley, UK. Thirty nations, the UN, the OECD, and the EU each nominated a representative to the report's Expert Advisory Panel. A total of 100 AI experts contributed, representing diverse perspectives and disciplines. Led by the report's Chair, these independent experts collectively had full discretion over the report's content.

Universal Actions for Enhanced Embodied Foundation Models

Training on diverse, internet-scale data is a key factor in the success of recent large foundation models. Yet, using the same recipe for building embodied agents has faced noticeable difficulties. Despite the availability of many crowd-sourced embodied datasets, their action spaces often exhibit significant heterogeneity due to distinct physical embodiment and control interfaces for different robots, causing substantial challenges in developing embodied foundation models using cross-domain data. In this paper, we introduce UniAct, a new embodied foundation modeling framework operating in a tokenized Universal Action Space. Our learned universal actions capture the generic atomic behaviors across diverse robots by exploiting their shared structural features, and enable enhanced cross-domain data utilization and cross-embodiment generalizations by eliminating the notorious heterogeneity. The universal actions can be efficiently translated back to heterogeneous actionable commands by simply adding embodiment-specific details, from which fast adaptation to new robots becomes simple and straightforward. Our 0.5B instantiation of UniAct outperforms 14X larger SOTA embodied foundation models in extensive evaluations on various real-world and simulation robots, showcasing exceptional cross-embodiment control and adaptation capability, highlighting the crucial benefit of adopting universal actions. Project page: https://github.com/2toinf/UniAct