Evolutionary training-free guidance in diffusion model for 3D multi-objective molecular generation

Discovering novel 3D molecular structures that simultaneously satisfy multiple property targets remains a central challenge in materials and drug design. Although recent diffusion-based models can generate 3D conformations, they require expensive retraining for each new property or property-combination and lack flexibility in enforcing structural constraints. We introduce EGD (Evolutionary Guidance in Diffusion), a training-free framework that embeds evolutionary operators directly into the diffusion sampling process. By performing crossover on noise-perturbed samples and then denoising them with a pretrained Unconditional diffusion model, EGD seamlessly blends structural fragments and steers generation toward user-specified objectives without any additional model updates. On both single- and multi-target 3D conditional generation tasks-and on multi-objective optimization of quantum properties EGD outperforms state-of-the-art conditional diffusion methods in accuracy and runs up to five times faster per generation. In the single-objective optimization of protein ligands, EGD enables customized ligand generation. Moreover, EGD can embed arbitrary 3D fragments into the generated molecules while optimizing multiple conflicting properties in one unified process. This combination of efficiency, flexibility, and controllable structure makes EGD a powerful tool for rapid, guided exploration of chemical space.

Learning Universal User Representations Leveraging Cross-domain User Intent at Snapchat

The development of powerful user representations is a key factor in the success of recommender systems (RecSys). Online platforms employ a range of RecSys techniques to personalize user experience across diverse in-app surfaces. User representations are often learned individually through user's historical interactions within each surface and user representations across different surfaces can be shared post-hoc as auxiliary features or additional retrieval sources. While effective, such schemes cannot directly encode collaborative filtering signals across different surfaces, hindering its capacity to discover complex relationships between user behaviors and preferences across the whole platform. To bridge this gap at Snapchat, we seek to conduct universal user modeling (UUM) across different in-app surfaces, learning general-purpose user representations which encode behaviors across surfaces. Instead of replacing domain-specific representations, UUM representations capture cross-domain trends, enriching existing representations with complementary information. This work discusses our efforts in developing initial UUM versions, practical challenges, technical choices and modeling and research directions with promising offline performance. Following successful A/B testing, UUM representations have been launched in production, powering multiple use cases and demonstrating their value. UUM embedding has been incorporated into (i) Long-form Video embedding-based retrieval, leading to 2.78% increase in Long-form Video Open Rate, (ii) Long-form Video L2 ranking, with 19.2% increase in Long-form Video View Time sum, (iii) Lens L2 ranking, leading to 1.76% increase in Lens play time, and (iv) Notification L2 ranking, with 0.87% increase in Notification Open Rate.

Trans-Zero: Self-Play Incentivizes Large Language Models for Multilingual Translation Without Parallel Data

The rise of Large Language Models (LLMs) has reshaped machine translation (MT), but multilingual MT still relies heavily on parallel data for supervised fine-tuning (SFT), facing challenges like data scarcity for low-resource languages and catastrophic forgetting. To address these issues, we propose TRANS-ZERO, a self-play framework that leverages only monolingual data and the intrinsic multilingual knowledge of LLM. TRANS-ZERO combines Genetic Monte-Carlo Tree Search (G-MCTS) with preference optimization, achieving strong translation performance that rivals supervised methods. Experiments demonstrate that this approach not only matches the performance of models trained on large-scale parallel data but also excels in non-English translation directions. Further analysis reveals that G-MCTS itself significantly enhances translation quality by exploring semantically consistent candidates through iterative translations, providing a robust foundation for the framework's succuss.

HisTrackMap: Global Vectorized High-Definition Map Construction via History Map Tracking

As an essential component of autonomous driving systems, high-definition (HD) maps provide rich and precise environmental information for auto-driving scenarios; however, existing methods, which primarily rely on query-based detection frameworks to directly model map elements or implicitly propagate queries over time, often struggle to maintain consistent temporal perception outcomes. These inconsistencies pose significant challenges to the stability and reliability of real-world autonomous driving and map data collection systems. To address this limitation, we propose a novel end-to-end tracking framework for global map construction by temporally tracking map elements' historical trajectories. Firstly, instance-level historical rasterization map representation is designed to explicitly store previous perception results, which can control and maintain different global instances' history information in a fine-grained way. Secondly, we introduce a Map-Trajectory Prior Fusion module within this tracking framework, leveraging historical priors for tracked instances to improve temporal smoothness and continuity. Thirdly, we propose a global perspective metric to evaluate the quality of temporal geometry construction in HD maps, filling the gap in current metrics for assessing global geometric perception results. Substantial experiments on the nuScenes and Argoverse2 datasets demonstrate that the proposed method outperforms state-of-the-art (SOTA) methods in both single-frame and temporal metrics. our project page: $\href{https://yj772881654.github.io/HisTrackMap/}{https://yj772881654.github.io/HisTrackMap.}$

Multi-LLM Collaborative Search for Complex Problem Solving

Large language models (LLMs) often struggle with complex reasoning tasks due to their limitations in addressing the vast reasoning space and inherent ambiguities of natural language. We propose the Mixture-of-Search-Agents (MoSA) paradigm, a novel approach leveraging the collective expertise of multiple LLMs to enhance search-based reasoning. MoSA integrates diverse reasoning pathways by combining independent exploration with iterative refinement among LLMs, mitigating the limitations of single-model approaches. Using Monte Carlo Tree Search (MCTS) as a backbone, MoSA enables multiple agents to propose and aggregate reasoning steps, resulting in improved accuracy. Our comprehensive evaluation across four reasoning benchmarks demonstrates MoSA's consistent performance improvements over single-agent and other multi-agent baselines, particularly in complex mathematical and commonsense reasoning tasks.

From Drafts to Answers: Unlocking LLM Potential via Aggregation Fine-Tuning

Scaling data and model size has been proven effective for boosting the performance of large language models. In addition to training-time scaling, recent studies have revealed that increasing test-time computational resources can further improve performance. In this work, we introduce Aggregation Fine-Tuning (AFT), a supervised finetuning paradigm where the model learns to synthesize multiple draft responses, referred to as proposals, into a single, refined answer, termed aggregation. At inference time, a propose-and-aggregate strategy further boosts performance by iteratively generating proposals and aggregating them. Empirical evaluations on benchmark datasets show that AFT-trained models substantially outperform standard SFT. Notably, an AFT model, fine-tuned from Llama3.1-8B-Base with only 64k data, achieves a 41.3% LC win rate on AlpacaEval 2, surpassing significantly larger LLMs such as Llama3.1-405B-Instruct and GPT4. By combining sequential refinement and parallel sampling, the propose-and-aggregate framework scales inference-time computation in a flexible manner. Overall, These findings position AFT as a promising approach to unlocking additional capabilities of LLMs without resorting to increasing data volume or model size.

Revisiting MLLMs: An In-Depth Analysis of Image Classification Abilities

With the rapid advancement of Multimodal Large Language Models (MLLMs), a variety of benchmarks have been introduced to evaluate their capabilities. While most evaluations have focused on complex tasks such as scientific comprehension and visual reasoning, little attention has been given to assessing their fundamental image classification abilities. In this paper, we address this gap by thoroughly revisiting the MLLMs with an in-depth analysis of image classification. Specifically, building on established datasets, we examine a broad spectrum of scenarios, from general classification tasks (e.g., ImageNet, ObjectNet) to more fine-grained categories such as bird and food classification. Our findings reveal that the most recent MLLMs can match or even outperform CLIP-style vision-language models on several datasets, challenging the previous assumption that MLLMs are bad at image classification \cite{VLMClassifier}. To understand the factors driving this improvement, we conduct an in-depth analysis of the network architecture, data selection, and training recipe used in public MLLMs. Our results attribute this success to advancements in language models and the diversity of training data sources. Based on these observations, we further analyze and attribute the potential reasons to conceptual knowledge transfer and enhanced exposure of target concepts, respectively. We hope our findings will offer valuable insights for future research on MLLMs and their evaluation in image classification tasks.

WSI-LLaVA: A Multimodal Large Language Model for Whole Slide Image

Recent advancements in computational pathology have produced patch-level Multi-modal Large Language Models (MLLMs), but these models are limited by their inability to analyze whole slide images (WSIs) comprehensively and their tendency to bypass crucial morphological features that pathologists rely on for diagnosis. To address these challenges, we first introduce WSI-Bench, a large-scale morphology-aware benchmark containing 180k VQA pairs from 9,850 WSIs across 30 cancer types, designed to evaluate MLLMs' understanding of morphological characteristics crucial for accurate diagnosis. Building upon this benchmark, we present WSI-LLaVA, a novel framework for gigapixel WSI understanding that employs a three-stage training approach: WSI-text alignment, feature space alignment, and task-specific instruction tuning. To better assess model performance in pathological contexts, we develop two specialized WSI metrics: WSI-Precision and WSI-Relevance. Experimental results demonstrate that WSI-LLaVA outperforms existing models across all capability dimensions, with a significant improvement in morphological analysis, establishing a clear correlation between morphological understanding and diagnostic accuracy.

TopoSD: Topology-Enhanced Lane Segment Perception with SDMap Prior

Recent advances in autonomous driving systems have shifted towards reducing reliance on high-definition maps (HDMaps) due to the huge costs of annotation and maintenance. Instead, researchers are focusing on online vectorized HDMap construction using on-board sensors. However, sensor-only approaches still face challenges in long-range perception due to the restricted views imposed by the mounting angles of onboard cameras, just as human drivers also rely on bird's-eye-view navigation maps for a comprehensive understanding of road structures. To address these issues, we propose to train the perception model to "see" standard definition maps (SDMaps). We encode SDMap elements into neural spatial map representations and instance tokens, and then incorporate such complementary features as prior information to improve the bird's eye view (BEV) feature for lane geometry and topology decoding. Based on the lane segment representation framework, the model simultaneously predicts lanes, centrelines and their topology. To further enhance the ability of geometry prediction and topology reasoning, we also use a topology-guided decoder to refine the predictions by exploiting the mutual relationships between topological and geometric features. We perform extensive experiments on OpenLane-V2 datasets to validate the proposed method. The results show that our model outperforms state-of-the-art methods by a large margin, with gains of +6.7 and +9.1 on the mAP and topology metrics. Our analysis also reveals that models trained with SDMap noise augmentation exhibit enhanced robustness.

Artificial Intelligence-Enhanced Couinaud Segmentation for Precision Liver Cancer Therapy

Precision therapy for liver cancer necessitates accurately delineating liver sub-regions to protect healthy tissue while targeting tumors, which is essential for reducing recurrence and improving survival rates. However, the segmentation of hepatic segments, known as Couinaud segmentation, is challenging due to indistinct sub-region boundaries and the need for extensive annotated datasets. This study introduces LiverFormer, a novel Couinaud segmentation model that effectively integrates global context with low-level local features based on a 3D hybrid CNN-Transformer architecture. Additionally, a registration-based data augmentation strategy is equipped to enhance the segmentation performance with limited labeled data. Evaluated on CT images from 123 patients, LiverFormer demonstrated high accuracy and strong concordance with expert annotations across various metrics, allowing for enhanced treatment planning for surgery and radiation therapy. It has great potential to reduces complications and minimizes potential damages to surrounding tissue, leading to improved outcomes for patients undergoing complex liver cancer treatments.