We present a novel theoretical interpretation of AlphaFold1 that reveals the potential of generalized Bayesian updating for probabilistic deep learning. The seminal breakthrough of AlphaFold1 in protein structure prediction by deep learning relied on a learned potential energy function, in contrast to the later end-to-end architectures of AlphaFold2 and AlphaFold3. While this potential was originally justified by referring to physical potentials of mean force (PMFs), we reinterpret AlphaFold1's potential as an instance of {\em probability kinematics} -- also known as {\em Jeffrey conditioning} -- a principled but under-recognised generalization of conventional Bayesian updating. Probability kinematics accommodates uncertain or {\em soft} evidence in the form of updated probabilities over a partition. This perspective reveals AlphaFold1's potential as a form of generalized Bayesian updating, rather than a thermodynamic potential. To confirm our probabilistic framework's scope and precision, we analyze a synthetic 2D model in which an angular random walk prior is updated with evidence on distances via probability kinematics, mirroring AlphaFold1's approach. This theoretical contribution connects AlphaFold1 to a broader class of well-justified Bayesian methods, allowing precise quantification, surpassing merely qualitative heuristics based on PMFs. Our contribution is theoretical: we replace AlphaFold1's heuristic analogy with a principled probabilistic framework, tested in a controlled synthetic setting where correctness can be assessed. More broadly, our results point to the considerable promise of probability kinematics for probabilistic deep learning, by allowing the formulation of complex models from a few simpler components.

--With the increasing availability of meteorological data from various sensors, numerical models and reanalysis products, the need for efficient data integration methods has become paramount for improving weather forecasts and hy-drometeorological studies. In this work, we propose a data fusion approach for precipitation nowcasting by integrating data from meteorological and rain gauge stations in Rio de Janeiro metropolitan area with ERA5 reanalysis data and GFS numerical weather prediction. We employ the spatiotemporal deep learning architecture called STConvS2S, leveraging a structured dataset covering a 9 x 11 grid. The study spans from January 2011 to October 2024, and we evaluate the impact of integrating three surface station systems. Among the tested configurations, the fusion-based model achieves an F1-score of 0.2033 for forecasting heavy precipitation events (greater than 25 mm/h) at a one-hour lead time. Additionally, we present an ablation study to assess the contribution of each station network and propose a refined inference strategy for precipitation nowcasting, integrating the GFS numerical weather prediction (NWP) data with in-situ observations. Precipitation nowcasting (or very short-range forecasting [1]) involves predicting rainfall within a six-hour lead time. Objective analysis techniques are then employed to synthesize these disparate measurements into a coherent, gridded spatial map for precipitation nowcasting [16]. Accurate precipitation forecasting is critical for mitigating natural disasters, such as floods, landslides, and droughts, and supports informed decision-making across sectors including agriculture, transportation, energy, and public health [3]. Recent advancements in machine learning, particularly deep learning, have demonstrated significant potential in geoscien-tific applications, including precipitation nowcasting.

Counterfactual examples are widely employed to enhance the performance and robustness of large language models (LLMs) through counterfactual data augmentation (CDA). However, the selection of the judge model used to evaluate label flipping, the primary metric for assessing the validity of generated counterfactuals for CDA, yields inconsistent results. To decipher this, we define four types of relationships between the counterfactual generator and judge models: being the same model, belonging to the same model family, being independent models, and having an distillation relationship. Through extensive experiments involving two state-of-the-art LLM-based methods, three datasets, four generator models, and 15 judge models, complemented by a user study (n = 90), we demonstrate that judge models with an independent, non-fine-tuned relationship to the generator model provide the most reliable label flipping evaluations. Relationships between the generator and judge models, which are closely aligned with the user study for CDA, result in better model performance and robustness. Nevertheless, we find that the gap between the most effective judge models and the results obtained from the user study remains considerably large. This suggests that a fully automated pipeline for CDA may be inadequate and requires human intervention.

Embodied foundation models are gaining increasing attention for their zero-shot generalization, scalability, and adaptability to new tasks through few-shot post-training. However, existing models rely heavily on real-world data, which is costly and labor-intensive to collect. Synthetic data offers a cost-effective alternative, yet its potential remains largely underexplored. To bridge this gap, we explore the feasibility of training Vision-Language-Action models entirely with large-scale synthetic action data. We curate SynGrasp-1B, a billion-frame robotic grasping dataset generated in simulation with photorealistic rendering and extensive domain randomization. Building on this, we present GraspVLA, a VLA model pretrained on large-scale synthetic action data as a foundational model for grasping tasks. GraspVLA integrates autoregressive perception tasks and flow-matching-based action generation into a unified Chain-of-Thought process, enabling joint training on synthetic action data and Internet semantics data. This design helps mitigate sim-to-real gaps and facilitates the transfer of learned actions to a broader range of Internet-covered objects, achieving open-vocabulary generalization in grasping. Extensive evaluations across real-world and simulation benchmarks demonstrate GraspVLA's advanced zero-shot generalizability and few-shot adaptability to specific human preferences. We will release SynGrasp-1B dataset and pre-trained weights to benefit the community.

Using Large Language Models (LLMs) in an evolutionary or other iterative search framework have demonstrated significant potential in automated algorithm design. However, the underlying fitness landscape, which is critical for understanding its search behavior, remains underexplored. In this paper, we illustrate and analyze the fitness landscape of LLM-assisted Algorithm Search (LAS) using a graph-based approach, where nodes represent algorithms and edges denote transitions between them. We conduct extensive evaluations across six algorithm design tasks and six commonly-used LLMs. Our findings reveal that LAS landscapes are highly multimodal and rugged, particularly in combinatorial optimization tasks, with distinct structural variations across tasks and LLMs. Moreover, we adopt four different methods for algorithm similarity measurement and study their correlations to algorithm performance and operator behaviour. These insights not only deepen our understanding of LAS landscapes but also provide practical insights for designing more effective LAS methods.

Since adjacent pixels are highly likely to belong to the same object, we propose the Heat Diffusion Model (HDM) to further preserve image details and generate more realistic images. HDM essentially is a DDPM that incorporates an attention mechanism between pixels. In HDM, the discrete form of the two - dimensional heat equation is integrated into the diffusion and generation formulas of DDPM, enabling the model to compute relationships between neighboring pixels during image processing. Our experiments demonstrate that HDM can generate higher - quality samples compared to models such as DDPM, Consistency Diffusion Models (CDM), Latent Diffusion Models (LDM), and V ector Quantized Generativ e Adversarial Networks (VQGAN).

Conversational recommender systems enable natural language conversations and thus lead to a more engaging and effective recommendation scenario. As the conversations for recommender systems usually contain limited contextual information, many existing conversational recommender systems incorporate external sources to enrich the contextual information. However, how to combine different types of contextual information is still a challenge. In this paper, we propose a multi-type context-aware conversational recommender system, called MCCRS, effectively fusing multi-type contextual information via mixture-of-experts to improve conversational recommender systems. MCCRS incorporates both structured information and unstructured information, including the structured knowledge graph, unstructured conversation history, and unstructured item reviews. It consists of several experts, with each expert specialized in a particular domain (i.e., one specific contextual information). Multiple experts are then coordinated by a ChairBot to generate the final results. Our proposed MCCRS model takes advantage of different contextual information and the specialization of different experts followed by a ChairBot breaks the model bottleneck on a single contextual information. Experimental results demonstrate that our proposed MCCRS method achieves significantly higher performance compared to existing baselines.

Generative AI is transforming computing education by enabling the automatic generation of personalized content and feedback. We investigate its capabilities in providing high-quality programming tasks to students. Despite promising advancements in task generation, a quality gap remains between AI-generated and expert-created tasks. The AI-generated tasks may not align with target programming concepts, could be incomprehensible to students, or may contain critical issues such as incorrect tests. Existing works often require interventions from human teachers for validation. We address these challenges by introducing PyTaskSyn, a novel synthesis technique that first generates a programming task and then decides whether it meets certain quality criteria to be given to students. The key idea is to break this process into multiple stages performed by expert and student agents simulated using both strong and weaker generative models. Through extensive evaluation, we show that PyTaskSyn significantly improves task quality compared to baseline techniques and showcases the importance of each specialized agent type in our validation pipeline. Additionally, we conducted user studies using our publicly available web application and show that PyTaskSyn can deliver high-quality programming tasks comparable to expert-designed ones while reducing workload and costs, and being more engaging than programming tasks that are available in online resources.

--Fault tolerance in Deep Neural Networks (DNNs) deployed on resource-constrained systems presents unique challenges for high-accuracy applications with strict timing requirements. Memory bit-flips can severely degrade DNN accuracy, while traditional protection approaches like Triple Modular Redundancy (TMR) often sacrifice accuracy to maintain reliability, creating a three-way dilemma between reliability, accuracy, and timeliness. We introduce NAPER, a novel protection approach that addresses this challenge through ensemble learning. Unlike conventional redundancy methods, NAPER employs heterogeneous model redundancy, where diverse models collectively achieve higher accuracy than any individual model. This is complemented by an efficient fault detection mechanism and a real-time scheduler that prioritizes meeting deadlines by intelligently scheduling recovery operations without interrupting inference. Our evaluations demonstrate NAPER's superiority: 40% faster inference in both normal and fault conditions, maintained accuracy 4.2% higher than TMR-based strategies, and guaranteed uninterrupted operation even during fault recovery. NAPER effectively balances the competing demands of accuracy, reliability, and timeliness in real-time DNN applications. Fault tolerance in real-time systems with limited computational resources, or resource-constrained systems, presents significant integration challenges. These systems have finite computational capabilities that cannot be easily expanded to accommodate redundancy and recovery without substantial trade-offs.

Autonomous agents for Graphical User Interfaces (GUIs) face significant challenges in specialized domains such as scientific computing, where both long-horizon planning and precise execution are required. Existing approaches suffer from a trade-off: generalist agents excel at planning but perform poorly in execution, while specialized agents demonstrate the opposite weakness. Recent compositional frameworks attempt to bridge this gap by combining a planner and an actor, but they are typically static and non-trainable, which prevents adaptation from experience. This is a critical limitation given the scarcity of high-quality data in scientific domains. To address these limitations, we introduce CODA, a novel and trainable compositional framework that integrates a generalist planner (Cerebrum) with a specialist executor (Cerebellum), trained via a dedicated two-stage pipeline. In the first stage, Specialization, we apply a decoupled GRPO approach to train an expert planner for each scientific application individually, bootstrapping from a small set of task trajectories. In the second stage, Generalization, we aggregate all successful trajectories from the specialized experts to build a consolidated dataset, which is then used for supervised fine-tuning of the final planner. This equips CODA with both robust execution and cross-domain generalization. Evaluated on four challenging applications from the ScienceBoard benchmark, CODA significantly outperforms baselines and establishes a new state of the art among open-source models.