Large language model (LLM) agents need to perform multi-turn interactions in real-world tasks. However, existing multi-turn RL algorithms for optimizing LLM agents fail to perform effective credit assignment over multiple turns while leveraging the generalization capabilities of LLMs and it remains unclear how to develop such algorithms. To study this, we first introduce a new benchmark, ColBench, where an LLM agent interacts with a human collaborator over multiple turns to solve realistic tasks in backend programming and frontend design. Building on this benchmark, we propose a novel RL algorithm, SWEET-RL (RL with Step-WisE Evaluation from Training-time information), that uses a carefully designed optimization objective to train a critic model with access to additional training-time information. The critic provides step-level rewards for improving the policy model. Our experiments demonstrate that SWEET-RL achieves a 6% absolute improvement in success and win rates on ColBench compared to other state-of-the-art multi-turn RL algorithms, enabling Llama-3.1-8B to match or exceed the performance of GPT4-o in realistic collaborative content creation.

Message-passing graph neural networks (MPNNs) have emerged as the leading approach for machine learning on graphs, attracting significant attention in recent years. While a large set of works explored the expressivity of MPNNs, i.e., their ability to separate graphs and approximate functions over them, comparatively less attention has been directed toward investigating their generalization abilities, i.e., making meaningful predictions beyond the training data. Here, we systematically review the existing literature on the generalization abilities of MPNNs. We analyze the strengths and limitations of various studies in these domains, providing insights into their methodologies and findings. Furthermore, we identify potential avenues for future research, aiming to deepen our understanding of the generalization abilities of MPNNs.

Nonlinear Bayesian update for a prior ensemble is proposed to extend traditional ensemble Kalman filtering to settings characterized by non-Gaussian priors and nonlinear measurement operators. In this framework, the observed component is first denoised via a standard Kalman update, while the unobserved component is estimated using a nonlinear regression approach based on kernel density estimation. The method incorporates a subsampling strategy to ensure stability and, when necessary, employs unsupervised clustering to refine the conditional estimate. Numerical experiments on Lorenz systems and a PDE-constrained inverse problem illustrate that the proposed nonlinear update can reduce estimation errors compared to standard linear updates, especially in highly nonlinear scenarios.

The performance of sequential Monte Carlo (SMC) samplers heavily depends on the tuning of the Markov kernels used in the path proposal. For SMC samplers with unadjusted Markov kernels, standard tuning objectives, such as the Metropolis-Hastings acceptance rate or the expected-squared jump distance, are no longer applicable. While stochastic gradient-based end-to-end optimization has been explored for tuning SMC samplers, they often incur excessive training costs, even for tuning just the kernel step sizes. In this work, we propose a general adaptation framework for tuning the Markov kernels in SMC samplers by minimizing the incremental Kullback-Leibler (KL) divergence between the proposal and target paths. For step size tuning, we provide a gradient- and tuning-free algorithm that is generally applicable for kernels such as Langevin Monte Carlo (LMC). We further demonstrate the utility of our approach by providing a tailored scheme for tuning \textit{kinetic} LMC used in SMC samplers. Our implementations are able to obtain a full \textit{schedule} of tuned parameters at the cost of a few vanilla SMC runs, which is a fraction of gradient-based approaches.

Change point detection has become an important part of the analysis of the single-particle tracking data, as it allows one to identify moments, in which the motion patterns of observed particles undergo significant changes. The segmentation of diffusive trajectories based on those moments may provide insight into various phenomena in soft condensed matter and biological physics. In this paper, we propose CINNAMON, a hybrid approach to classifying single-particle tracking trajectories, detecting change points within them, and estimating diffusion parameters in the segments between the change points. Our method is based on a combination of neural networks, feature-based machine learning, and statistical techniques. It has been benchmarked in the second Anomalous Diffusion Challenge. The method offers a high level of interpretability due to its analytical and feature-based components. A potential use of features from topological data analysis is also discussed.

The BI_RADS score is a probabilistic reporting tool used by radiologists to express the level of uncertainty in predicting breast cancer based on some morphological features in mammography images. There is a significant variability in describing masses which sometimes leads to BI_RADS misclassification. Using a BI_RADS prediction system is required to support the final radiologist decisions. In this study, the uncertainty information extracted by a Bayesian deep learning model is utilized to predict the BI_RADS score. The investigation results based on the pathology information demonstrate that the f1-scores of the predictions of the radiologist are 42.86%, 48.33% and 48.28%, meanwhile, the f1-scores of the model performance are 73.33%, 59.60% and 59.26% in the BI_RADS 2, 3 and 5 dataset samples, respectively. Also, the model can distinguish malignant from benign samples in the BI_RADS 0 category of the used dataset with an accuracy of 75.86% and correctly identify all malignant samples as BI_RADS 5. The Grad-CAM visualization shows the model pays attention to the morphological features of the lesions. Therefore, this study shows the uncertainty-aware Bayesian Deep Learning model can report his uncertainty about the malignancy of a lesion based on morphological features, like a radiologist.

How do humans move? The quest to understand human motion has broad applications in numerous fields, ranging from computer animation and motion synthesis to neuroscience, human prosthetics and rehabilitation. Although advances in reinforcement learning (RL) have produced impressive results in capturing human motion using simplified humanoids, controlling physiologically accurate models of the body remains an open challenge. In this work, we present a model-free motion imitation framework (KINESIS) to advance the understanding of muscle-based motor control. Using a musculoskeletal model of the lower body with 80 muscle actuators and 20 DoF, we demonstrate that KINESIS achieves strong imitation performance on 1.9 hours of motion capture data, is controllable by natural language through pre-trained text-to-motion generative models, and can be fine-tuned to carry out high-level tasks such as target goal reaching. Importantly, KINESIS generates muscle activity patterns that correlate well with human EMG activity. The physiological plausibility makes KINESIS a promising model for tackling challenging problems in human motor control theory, which we highlight by investigating Bernstein's redundancy problem in the context of locomotion. Code, videos and benchmarks will be available at https://github.com/amathislab/Kinesis.

Large language models (LLMs) undergo a three-phase training process: unsupervised pre-training, supervised fine-tuning (SFT), and learning from human feedback (RLHF/DPO). Notably, it is during the final phase that these models are exposed to negative examples -- incorrect, rejected, or suboptimal responses to queries. This paper delves into the role of negative examples in the training of LLMs, using a likelihood-ratio (Likra) model on multiple-choice question answering benchmarks to precisely manage the influence and the volume of negative examples. Our findings reveal three key insights: (1) During a critical phase in training, Likra with negative examples demonstrates a significantly larger improvement per training example compared to SFT using only positive examples. This leads to a sharp jump in the learning curve for Likra unlike the smooth and gradual improvement of SFT; (2) negative examples that are plausible but incorrect (near-misses) exert a greater influence; and (3) while training with positive examples fails to significantly decrease the likelihood of plausible but incorrect answers, training with negative examples more accurately identifies them. These results indicate a potentially significant role for negative examples in improving accuracy and reducing hallucinations for LLMs.

Sepsis is a life-threatening syndrome with high morbidity and mortality in hospitals. Early prediction of sepsis plays a crucial role in facilitating early interventions for septic patients. However, early sepsis prediction systems with uncertainty quantification and adaptive learning are scarce. This paper proposes Sepsyn-OLCP, a novel online learning algorithm for early sepsis prediction by integrating conformal prediction for uncertainty quantification and Bayesian bandits for adaptive decision-making. By combining the robustness of Bayesian models with the statistical uncertainty guarantees of conformal prediction methodologies, this algorithm delivers accurate and trustworthy predictions, addressing the critical need for reliable and adaptive systems in high-stakes healthcare applications such as early sepsis prediction. We evaluate the performance of Sepsyn-OLCP in terms of regret in stochastic bandit setting, the area under the receiver operating characteristic curve (AUROC), and F-measure. Our results show that Sepsyn-OLCP outperforms existing individual models, increasing AUROC of a neural network from 0.64 to 0.73 without retraining and high computational costs. And the model selection policy converges to the optimal strategy in the long run. We propose a novel reinforcement learning-based framework integrated with conformal prediction techniques to provide uncertainty quantification for early sepsis prediction. The proposed methodology delivers accurate and trustworthy predictions, addressing a critical need in high-stakes healthcare applications like early sepsis prediction.

Recent advances in deep learning and Transformers have driven major breakthroughs in robotics by employing techniques such as imitation learning, reinforcement learning, and LLM-based multimodal perception and decision-making. However, conventional deep learning and Transformer models often struggle to process data with inherent symmetries and invariances, typically relying on large datasets or extensive data augmentation. Equivariant neural networks overcome these limitations by explicitly integrating symmetry and invariance into their architectures, leading to improved efficiency and generalization. This tutorial survey reviews a wide range of equivariant deep learning and control methods for robotics, from classic to state-of-the-art, with a focus on SE(3)-equivariant models that leverage the natural 3D rotational and translational symmetries in visual robotic manipulation and control design. Using unified mathematical notation, we begin by reviewing key concepts from group theory, along with matrix Lie groups and Lie algebras. We then introduce foundational group-equivariant neural network design and show how the group-equivariance can be obtained through their structure. Next, we discuss the applications of SE(3)-equivariant neural networks in robotics in terms of imitation learning and reinforcement learning. The SE(3)-equivariant control design is also reviewed from the perspective of geometric control. Finally, we highlight the challenges and future directions of equivariant methods in developing more robust, sample-efficient, and multi-modal real-world robotic systems.