Training-free guidance enables controlled generation in diffusion and flow models, but most methods rely on gradients and assume differentiable objectives. This work focuses on training-free guidance addressing challenges from non-differentiable objectives and discrete data distributions. We propose TreeG: Tree Search-Based Path Steering Guidance, applicable to both continuous and discrete settings in diffusion and flow models. TreeG offers a unified framework for training-free guidance by proposing, evaluating, and selecting candidates at each step, enhanced with tree search over active paths and parallel exploration. We comprehensively investigate the design space of TreeG over the candidate proposal module and the evaluation function, instantiating TreeG into three novel algorithms. Our experiments show that TreeG consistently outperforms top guidance baselines in symbolic music generation, small molecule design, and enhancer DNA design with improvements of 29.01%,26.38%,and

Large language models (LLMs) have achieved significant performance progress in various natural language processing applications. However, LLMs still struggle to meet the strict requirements for accuracy and reliability in the medical field and face many challenges in clinical applications. Existing clinical diagnostic evaluation benchmarks for evaluating medical agents powered by LLMs have severe limitations. Firstly, most existing medical evaluation benchmarks face the risk of data leakage or contamination.

Robust 3D geometry estimation from videos is critical for applications such as autonomous navigation, SLAM, and 3D scene reconstruction. Recent methods like DUSt3R demonstrate that regressing dense pointmaps from image pairs enables accurate and efficient pose-free reconstruction.

Positive and Unlabeled (PU) learning is a special case of binary classification with weak supervision, where only positive labeled and unlabeled data are available. Previous studies suggest several specific risk estimators of PU learning such as non-negative PU (nnPU), which are unbiased and consistent with the expected risk of supervised binary classification. In nnPU, the negative-class empirical risk is estimated by positive labeled and unlabeled data with a non-negativity constraint. However, its negative-class empirical risk estimator approaches 0, so the negative class is over-played, resulting in imbalanced error rates between positive and negative classes. To solve this problem, we suppose that the expected risks of the positive-class and negative-class should be close. Accordingly, we constrain that the negative-class empirical risk estimator is lower bounded by the positive-class empirical risk, instead of 0; and also incorporate an explicit equality constraint between them. We suggest a risk estimator of PU learning that balances positive and negative classification error rates, named DC-PU, and suggest an efficient training method for DC-PU based on the augmented Lagrange multiplier framework. We theoretically analyze the estimation error of DC-PU and empirically validate that DC-PU achieves higher accuracy and converges more stable than other risk estimators of PU learning. Additionally, DC-PU also performs competitive accuracy performance with practical PU learning methods.

The gradient descent (GD) has been one of the most common optimizer in machine learning. In particular, the loss landscape of a neural network is typically sharpened during the initial phase of training, making the training dynamics hover on the edge of stability. This is beyond our standard understanding of GD convergence in the stable regime where stepsize is chosen sufficiently smaller. Recently, Wu et al. [63] have shown that GD converges with much larger stepsize under linearly separable logistic regression. Although their analysis hinges on the self-bounding property of the logistic loss, which seems to be a cornerstone to establish a modified descent lemma, our pilot study shows that other loss functions without the selfbounding property can make GD attain arbitrarily small loss with large stepsize.

Data synthesis has become increasingly crucial for long-tail instance segmentation tasks to mitigate class imbalance and high annotation costs. Previous methods have primarily prioritized the selection of data from a pre-generated image object pool, which frequently leads to the inefficient utilization of generated data. To address this inefficiency, we propose a collaborative approach that incorporates feedback from an instance segmentation model to guide the augmentation process. Specifically, the diffusion model uses feedback to generate objects that exhibit high uncertainty. The number and size of synthesized objects for each class are dynamically adjusted based on the model state to improve learning in underrepresented classes. This augmentation process is further strengthened by running multiple rounds, allowing feedback to be refined throughout training. In summary, multi-round collaborative augmentation (MRCA) enhances sample efficiency by providing optimal synthetic data at the right moment. Our framework requires only 6% of the data generation needed by state-of-the-art methods while outperforming them.

We introduce Best-of-N (BoN) Jailbreaking, a simple black-box algorithm that jailbreaks frontier AI systems across modalities. BoNJailbreaking works by repeatedly sampling variations of a prompt with a combination of augmentations--such as random shuffling or capitalization for textual prompts--until a harmful response is elicited. We find that BoNJailbreaking achieves high attack success rates (ASRs) on closed-source language models, such as 89% on GPT-4o and 78% on Claude 3.5 Sonnet when sampling 10,000 augmented prompts. Further, it is similarly effective at circumventing state-of-the-art open-source defenses like circuit breakers and reasoning models like o1. BoNalso seamlessly extends to other modalities: it jailbreaks vision language models (VLMs) such as GPT-4o and audio language models (ALMs) like Gemini 1.5 Pro, using modality-specific augmentations. BoNreliably improves when we sample more augmented prompts. Across all modalities, ASR, as a function of the number of samples (N), empirically follows power-law-like behavior for many orders of magnitude. BoNJailbreaking can also be composed with other black-box algorithms for even more effective attacks--combining BoNwith an optimized prefix attack achieves up to a 35% increase in ASR. Overall, our work indicates that, despite their capability, language models are sensitive to seemingly innocuous changes to inputs, which attackers can exploit across modalities.

Out-of-distribution generalization under distributional shifts remains a critical challenge for graph neural networks. Existing methods generally adopt the Invariant Risk Minimization (IRM) framework, requiring costly environment annotations or heuristically generated synthetic splits. To circumvent these limitations, in this work, we aim to develop an IRM-free method for capturing causal subgraphs. We first identify that causal subgraphs exhibit substantially smaller distributional variations than non-causal components across diverse environments, which we formalize as the Invariant Distribution Criterion and theoretically prove in this paper. Building on this criterion, we systematically uncover the quantitative relationship between distributional shift and representation norm for identifying the causal subgraph, and investigate its underlying mechanisms in depth. Finally, we propose an IRM-free method by introducing a norm-guided invariant distribution objective for causal subgraph discovery and prediction. Extensive experiments on two widely used benchmarks demonstrate that our method consistently outperforms state-of-the-art methods in graph generalization. Code is available at https: //github.com/anders1123/IDG.

In networked multi-agent reinforcement learning (Networked-MARL), decentralized agents must act autonomously under local observability and constrained communication over fixed physical graphs. Existing methods often assume static neighborhoods, limiting adaptability to dynamic or heterogeneous environments. While centralized frameworks can learn dynamic graphs, their reliance on global state access and centralized infrastructure is impractical in real-world decentralized systems. We propose a stochastic graph-based policy for Networked-MARL, where each agent conditions its decision on a sampled subgraph over its local physical neighborhood. Building on this formulation, we introduce BayesG, a decentralized actor-critic framework that learns sparse, context-aware interaction structures via Bayesian variational inference. Each agent operates over an ego-graph and samples a latent communication mask to guide message passing and policy computation. The variational distribution is trained end-to-end alongside the policy using an evidence lower bound (ELBO) objective, enabling agents to jointly learn both interaction topology and decision-making strategies. BayesG outperforms strong MARL baselines on large-scale traffic control tasks with up to 167 agents, demonstrating superior scalability, efficiency, and performance.

The Boolean Satisfiability Problem (SAT) plays a crucial role in cryptanalysis, enabling tasks like key recovery and distinguisher construction. Conflict-Driven Clause Learning (CDCL) has emerged as the dominant paradigm in modern SAT solving, and machine learning has been increasingly integrated with CDCL-based SAT solvers to tackle complex cryptographic problems. However, the lack of a unified evaluation framework, inconsistent input formats, and varying modeling approaches hinder fair comparison. Besides, cryptographic SAT instances also differ structurally from standard SAT problems, and the absence of standardized datasets further complicates evaluation. To address these issues, we introduce SAT4CryptoBench, the first comprehensive benchmark for assessing machine learning-based solvers in cryptanalysis.