Electrochemical impedance spectroscopy (EIS) data is typically modeled using an equivalent circuit model (ECM), with parameters obtained by minimizing a loss function via nonlinear least squares fitting. This paper introduces two new loss functions, log-B and log-BW, derived from the Bode representation of EIS. Using a large dataset of generated EIS data, the performance of proposed loss functions was evaluated alongside existing ones in terms of R2 scores, chi-squared, computational efficiency, and the mean absolute percentage error (MAPE) between the predicted component values and the original values. Statistical comparisons revealed that the choice of loss function impacts convergence, computational efficiency, quality of fit, and MAPE. Our analysis showed that X2 loss function (squared sum of residuals with proportional weighting) achieved the highest performance across multiple quality of fit metrics, making it the preferred choice when the quality of fit is the primary goal. On the other hand, log-B offered a slightly lower quality of fit while being approximately 1.4 times faster and producing lower MAPE for most circuit components, making log-B as a strong alternative. This is a critical factor for large-scale least squares fitting in data-driven applications, such as training machine learning models on extensive datasets or iterations.

Abstract-- Sequential robot manipulation tasks require finding collision-free trajectories that satisfy geometric constraints across multiple object interactions in potentially high-dimensional configuration spaces. Solving these problems in real-time and at large scales has remained out of reach due to computational requirements. Recently, GPU-based acceleration has shown promising results, but prior methods achieve limited performance due to CPU-GPU data transfer overhead and complex logic that prevents full hardware utilization. T o this end, we present SPaSM (Sampling Particle optimization for Sequential Manipulation), a fully GPU-parallelized framework that compiles constraint evaluation, sampling, and gradient-based optimization into optimized CUDA kernels for end-to-end trajectory optimization without CPU coordination. The method consists of a two-stage particle optimization strategy: first solving placement constraints through massively parallel sampling, then lifting solutions to full trajectory optimization in joint space. Unlike hierarchical approaches, SPaSM jointly optimizes object placements and robot trajectories to handle scenarios where motion feasibility constrains placement options. Experimental evaluation on challenging benchmarks demonstrates solution times in the realm of milliseconds with a 100% success rate; a 4000 speedup compared to existing approaches. Code and examples are available at commalab.org/papers/spasm.

With the growing popularity of LLM agents and RAG, it has become increasingly important to retrieve documents that are essential for solving a task, even when their connection to the task is indirect or implicit. Addressing this problem requires fine-grained reasoning to accurately assess the relevance between the task and each candidate document. This capability, however, poses a significant challenge for existing IR techniques. Despite recent progress in reasoning-enhanced IR, existing approaches still face significant challenges in applicability, scalability, and efficiency. In this work, we propose Retro*, a novel approach for reasoning-intensive document retrieval. Our method introduces a rubric-based relevance scoring mechanism, enabling the model to reason about the relationship between a task and a document based on explicitly defined criteria, whereby producing a fine-grained, interpretable relevance score. Retro* also supports test-time scaling by combining multiple reasoning trajectories via score integration, which produces more reliable relevance estimates. To optimize Retro*'s reasoning capabilities, we introduce a novel reinforcement learning algorithm tailored for its relevance scoring mechanism, which employs two composite rewards to fully exploit the trajectories of each training sample. Our experiments show that Retro* outperforms existing document retrieval methods with notable advantages, leading to state-of-the-art performance on the BRIGHT benchmark. Large language model (LLM) agents have become increasingly important for tackling complex tasks such as software engineering, mathematics, and scientific research (Chan et al., 2024; Jin et al., 2025; Wei et al., 2025; Phan et al., 2025). In these applications, retrieval-augmented generation (RAG) (Lewis et al., 2020; Gao et al., 2023) plays a crucial role, as access to external knowledge is often necessary to produce high-quality solutions. However, in many scenarios, retrieval models must identify useful documents, even when their connection to the task is indirect or implicit, which makes the retrieval process particularly challenging. For example, in software engineering, a retrieval model may need to locate programs that share similar design patterns with the target problem rather than matching exact code snippets (Jimenez et al., 2023). In mathematics, it might involve retrieving proofs derived from the same underlying theorem, even if they are expressed differently (Chen et al., 2023). Solving such tasks requires fine-grained reasoning to bridge subtle connections between the task and candidate documents. However, existing retrieval models are primarily designed to capture straightforward semantic relationships, such as matching question-answer pairs or identifying paraphrases (Lee et al., 2019; Karpukhin et al., 2020).

Creating models from past observations and ensuring their effectiveness on new data is the essence of machine learning. However, selecting models that generalize well remains a challenging task. Related to this topic, the Rashomon Effect refers to cases where multiple models perform similarly well for a given learning problem. This often occurs in real-world scenarios, like the manufacturing process or medical diagnosis, where diverse patterns in data lead to multiple high-performing solutions. We propose the Rashomon Ensemble, a method that strategically selects models from these diverse high-performing solutions to improve generalization. By grouping models based on both their performance and explanations, we construct ensembles that maximize diversity while maintaining predictive accuracy. This selection ensures that each model covers a distinct region of the solution space, making the ensemble more robust to distribution shifts and variations in unseen data. We validate our approach on both open and proprietary collaborative real-world datasets, demonstrating up to 0.20+ AUROC improvements in scenarios where the Rashomon ratio is large. Additionally, we demonstrate tangible benefits for businesses in various real-world applications, highlighting the robustness, practicality, and effectiveness of our approach.

Decision-focused learning (DFL) integrates predictive modeling and optimization by training predictors to optimize the downstream decision target rather than merely minimizing prediction error. To date, existing DFL methods typically rely on deterministic point predictions, which are often insufficient to capture the intrinsic stochasticity of real-world environments. To address this challenge, we propose the first diffusion-based DFL approach, which trains a diffusion model to represent the distribution of uncertain parameters and optimizes the decision by solving a stochastic optimization with samples drawn from the diffusion model. Our contributions are twofold. First, we formulate diffusion DFL using the reparameterization trick, enabling end-to-end training through diffusion. While effective, it is memory and compute-intensive due to the need to differentiate through the diffusion sampling process. Second, we propose a lightweight score function estimator that uses only several forward diffusion passes and avoids backpropagation through the sampling. This follows from our results that backpropagating through stochastic optimization can be approximated by a weighted score function formulation. We empirically show that our diffusion DFL approach consistently outperforms strong baselines in decision quality. The source code for all experiments is available at the project repository: https://github.com/GT-KOALA/Diffusion_DFL.

This paper introduces torchsom, an open-source Python library that provides a reference implementation of the Self-Organizing Map (SOM) in PyTorch. This package offers three main features: (i) dimensionality reduction, (ii) clustering, and (iii) friendly data visualization. It relies on a PyTorch backend, enabling (i) fast and efficient training of SOMs through GPU acceleration, and (ii) easy and scalable integrations with PyTorch ecosystem. Moreover, torchsom follows the scikit-learn API for ease of use and extensibility.

Recently, multi-fidelity Bayesian optimization (MFBO) has been successfully applied to many engineering design optimization problems, where the cost of high-fidelity simulations and experiments can be prohibitive. However, challenges remain for constrained optimization problems using the MFBO framework, particularly in efficiently identifying the feasible region defined by the constraints. In this paper, we propose a constrained multi-fidelity Bayesian optimization (CMFBO) method with novel acquisition functions. Specifically, we design efficient acquisition functions that 1) have analytically closed-form expressions; 2) are straightforward to implement; and 3) do not require feasible initial samples, an important feature often missing in commonly used acquisition functions such as expected constrained improvement (ECI). We demonstrate the effectiveness of our algorithms on synthetic test problems using different combinations of acquisition functions. Then, we apply the proposed method to a data-driven inertial confinement fusion (ICF) design problem, and a high-current joint design problem using finite element simulations with computational contact mechanics.

Deep learning based weather forecasting (DLWF) models leverage past weather observations to generate future forecasts, supporting a wide range of downstream tasks, including tropical cyclone (TC) trajectory prediction. In this paper, we investigate their vulnerability to adversarial attacks, where subtle perturbations to the upstream weather forecasts can alter the downstream TC trajectory predictions. Although research on adversarial attacks in DLWF models has grown recently, generating perturbed upstream forecasts that reliably steer downstream output toward attacker-specified trajectories remains a challenge. First, conventional TC detection systems are opaque, non-differentiable black boxes, making standard gradient-based attacks infeasible. Second, the extreme rarity of TC events leads to severe class imbalance problem, making it difficult to develop efficient attack methods that will produce the attacker's target trajectories. Furthermore, maintaining physical consistency in adversarially generated forecasts presents another significant challenge. To overcome these limitations, we propose Cyc-Attack, a novel method that perturbs the upstream forecasts of DLWF models to generate adversarial trajectories. First, we pre-train a differentiable surrogate model to approximate the TC detector's output, enabling the construction of gradient-based attacks. Cyc-Attack also employs skewness-aware loss function with kernel dilation strategy to address the imbalance problem. Finally, a distance-based gradient weighting scheme and regularization are used to constrain the perturbations and eliminate spurious trajectories to ensure the adversarial forecasts are realistic and not easily detectable.

In Indiana, Exploration Acres found a way to keep the family farm alive. Exploration Acres has operated its award-winning corn maze for almost 20 years. Breakthroughs, discoveries, and DIY tips sent every weekday. The adage refers to a farmer's goal for their crops if they hope to make the October harvest. And while most Midwesterners are familiar with the axiom, Tim Fitzgerald knows the folksy refrain lost its relevancy decades ago.

Transformer-based models for amortized probabilistic inference, such as neural processes, prior-fitted networks, and tabular foundation models, excel at single-pass marginal prediction. However, many real-world applications, from signal interpolation to multi-column tabular predictions, require coherent joint distributions that capture dependencies between predictions. While purely autoregressive architectures efficiently generate such distributions, they sacrifice the flexible set-conditioning that makes these models powerful for meta-learning. Conversely, the standard approach to obtain joint distributions from set-based models requires expensive re-encoding of the entire augmented conditioning set at each autoregressive step. We introduce a causal autoregressive buffer that preserves the advantages of both paradigms. Our approach decouples context encoding from updating the conditioning set. The model processes the context once and caches it. A dynamic buffer then captures target dependencies: as targets are incorporated, they enter the buffer and attend to both the cached context and previously buffered targets. This enables efficient batched autoregressive generation and one-pass joint log-likelihood evaluation. A unified training strategy allows seamless integration of set-based and autoregressive modes at minimal additional cost. Across synthetic functions, EEG signals, cognitive models, and tabular data, our method matches predictive accuracy of strong baselines while delivering up to 20 times faster joint sampling. Our approach combines the efficiency of autoregressive generative models with the representational power of set-based conditioning, making joint prediction practical for transformer-based probabilistic models.