Diffusion-based generative models, as first introduced by Sohl-Dickstein et al. (2015), have shown

Neural Information Processing Systems http://nips.cc/

Diffusion-based generative models, as first introduced by Sohl-Dickstein et al. (2015), have shown

Single-molecule fluorescence assays enable high-resolution analysis of biomolecular dynamics, but traditional analysis pipelines are labor-intensive and rely on users' experience, limiting scalability and reproducibility. Recent deep learning models have automated aspects of data processing, yet many still require manual thresholds, complex architectures, or extensive labeled data. Therefore, we present DASH, a fully streamlined architecture for trace classification, state assignment, and automatic sorting that requires no user input. DASH demonstrates robust performance across users and experimental conditions both in equilibrium and non-equilibrium systems such as Cas12a-mediated DNA cleavage. This paper proposes a novel strategy for the automatic and detailed sorting of single-molecule fluorescence events. The dynamic cleavage process of Cas12a is used as an example to provide a comprehensive analysis. This approach is crucial for studying biokinetic structural changes at the single-molecule level.

We present a novel, model-free, and data-driven methodology for controlling complex dynamical systems into previously unseen target states, including those with significantly different and complex dynamics. Leveraging a parameter-aware realization of next-generation reservoir computing, our approach accurately predicts system behavior in unobserved parameter regimes, enabling control over transitions to arbitrary target states. Crucially, this includes states with dynamics that differ fundamentally from known regimes, such as shifts from periodic to intermittent or chaotic behavior. The method's parameter-awareness facilitates non-stationary control, ensuring smooth transitions between states. By extending the applicability of machine learning-based control mechanisms to previously inaccessible target dynamics, this methodology opens the door to transformative new applications while maintaining exceptional efficiency. Our results highlight reservoir computing as a powerful alternative to traditional methods for dynamic system control.

Markov jump processes are continuous-time stochastic processes widely used in statistical applications in the natural sciences, and more recently in machine learning. Inference for these models typically proceeds via Markov chain Monte Carlo, and can suffer from various computational challenges. In this work, we propose a novel collapsed variational inference algorithm to address this issue. Our work leverages ideas from discrete-time Markov chains, and exploits a connection between these two through an idea called uniformization.

Drag-based swimming with rowing appendages, fins, and webbed feet is a widely adapted locomotion form in aquatic animals. To develop effective underwater and swimming vehicles, a wide range of bioinspired drag-based paddles have been proposed, often faced with a trade-off between propulsive efficiency and versatility. Webbed feet provide an effective propulsive force in the power phase, are light weight and robust, and can even be partially folded away in the recovery phase. However, during the transition between recovery and power phase, much time is lost folding and unfolding, leading to drag and reducing efficiency. In this work, we took inspiration from the coupling tendons of aquatic birds and utilized tendon coupling mechanisms to shorten the transition time between recovery and power phase. Results from our hardware experiments show that the proposed mechanisms improve propulsive efficiency by 2.0 and 2.4 times compared to a design without extensor tendons or based on passive paddle, respectively. We further report that distal leg joint clutching, which has been shown to improve efficiency in terrestrial walking, did not play an major role in swimming locomotion. In sum, we describe a new principle for an efficient, drag-based leg and paddle design, with potential relevance for the swimming mechanics in aquatic birds.

Molecular dynamics simulations offer detailed insights into atomic motions but face timescale limitations. Enhanced sampling methods have addressed these challenges but even with machine learning, they often rely on pre-selected expert-based features. In this work, we present the Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB) framework, which combines graph neural networks and the State Predictive Information Bottleneck to automatically learn low-dimensional representations directly from atomic coordinates. Tested on three benchmark systems, our approach predicts essential structural, thermodynamic and kinetic information for slow processes, demonstrating robustness across diverse systems. The method shows promise for complex systems, enabling effective enhanced sampling without requiring pre-defined reaction coordinates or input features.

Multi-Target Multi-Camera Tracking (MTMCT) has broad applications and forms the basis for numerous future city-wide systems (e.g. traffic management, crash detection, etc.). However, the challenge of matching vehicle trajectories across different cameras based solely on feature extraction poses significant difficulties. This article introduces an innovative multi-camera vehicle tracking system that utilizes a self-supervised camera link model. In contrast to related works that rely on manual spatial-temporal annotations, our model automatically extracts crucial multi-camera relationships for vehicle matching. The camera link is established through a pre-matching process that evaluates feature similarities, pair numbers, and time variance for high-quality tracks. This process calculates the probability of spatial linkage for all camera combinations, selecting the highest scoring pairs to create camera links. Our approach significantly improves deployment times by eliminating the need for human annotation, offering substantial improvements in efficiency and cost-effectiveness when it comes to real-world application. This pairing process supports cross camera matching by setting spatial-temporal constraints, reducing the searching space for potential vehicle matches. According to our experimental results, the proposed method achieves a new state-of-the-art among automatic camera-link based methods in CityFlow V2 benchmarks with 61.07% IDF1 Score.

We consider gradient descent (GD) with a constant stepsize applied to logistic regression with linearly separable data, where the constant stepsize $\eta$ is so large that the loss initially oscillates. We show that GD exits this initial oscillatory phase rapidly -- in $\mathcal{O}(\eta)$ steps -- and subsequently achieves an $\tilde{\mathcal{O}}(1 / (\eta t) )$ convergence rate after $t$ additional steps. Our results imply that, given a budget of $T$ steps, GD can achieve an accelerated loss of $\tilde{\mathcal{O}}(1/T^2)$ with an aggressive stepsize $\eta:= \Theta( T)$, without any use of momentum or variable stepsize schedulers. Our proof technique is versatile and also handles general classification loss functions (where exponential tails are needed for the $\tilde{\mathcal{O}}(1/T^2)$ acceleration), nonlinear predictors in the neural tangent kernel regime, and online stochastic gradient descent (SGD) with a large stepsize, under suitable separability conditions.