Evaluating generative AI models is increasingly resource-intensive due to slow inference, expensive raters, and a rapidly growing landscape of models and benchmarks. We propose ProEval, a proactive evaluation framework that leverages transfer learning to efficiently estimate performance and identify failure cases. ProEval employs pre-trained Gaussian Processes (GPs) as surrogates for the performance score function, mapping model inputs to metrics such as the severity of errors or safety violations. By framing performance estimation as Bayesian quadrature (BQ) and failure discovery as superlevel set sampling, we develop uncertainty-aware decision strategies that actively select or synthesize highly informative inputs for testing. Theoretically, we prove that our pre-trained GP-based BQ estimator is unbiased and bounded. Empirically, extensive experiments on reasoning, safety alignment, and classification benchmarks demonstrate that ProEval is significantly more efficient than competitive baselines. It requires 8-65x fewer samples to achieve estimates within 1% of the ground truth, while simultaneously revealing more diverse failure cases under a stricter evaluation budget.

Causal effect estimation from observational data requires careful adjustment for confounding. Classical estimators such as inverse probability weighting and augmented inverse probability weighting are effective under favorable model specification, but may become unstable when treatment assignment and outcome mechanisms are complex, non-linear, and high-dimensional. Machine learning and representation learning approaches improve flexibility, yet joint training can allow outcome-related information to influence treatment-side representations, which is undesirable from a causal perspective. We propose MOCA (Modular One-way Causal Attention), a transformer-based framework that separates treatment and outcome modeling through a modular design, and performs confounder adjustment using a one-way attention mechanism. A cutting-feedback strategy, implemented via gradient detachment, prevents the outcome loss from updating the treatment module. This design preserves directional information flow while retaining the representational power of transformer architectures for causal inference. Across multiple simulated scenarios, including linear, nonlinear, heavy-tailed, hidden confounding, and high-dimensional settings, MOCA shows competitive or improved performance relative to IPW, AIPW, X-learner, TARNet, and DragonNet. We further illustrate the method on the Infant Health and Development Program dataset and the Dehejia-Wahba dataset as real-world benchmarks. These results suggest that modular attention with one-way information flow provides a promising and interpretable direction for causal inference with modern deep learning models.

Convolutional neural networks (CNNs) have become increasingly difficult to deploy in resource-constrained environments due to their large memory and computational requirements. Although low-rank compression methods can reduce this burden, most existing approaches compress spatial and channel redundancy independently and therefore do not fully exploit the localised structure within convolutional feature maps. This paper proposes a hierarchical spatio-channel low-rank compression framework for CNNs that exploits redundancy across spatial regions and channel activations. Unlike conventional methods, which apply a uniform decomposition across an entire layer, the proposed approach first partitions feature maps into spatial regions, then groups channels according to their co-activation patterns within each region, and finally applies rank-adaptive SVD to each resulting spatio-channel cluster. The method is evaluated on an AlexNet-based brain tumour MRI classification model and compared with Global SVD and Tucker decomposition under \(3\times\) and \(6\times\) compression budgets. Our method outperforms both baselines, reducing FLOPs from \(8.21\,\mathrm{G}\) to \(1.55\,\mathrm{G}\) (\(81.1\%\) reduction), achieving a \(1.38\times\) inference speed-up, and increasing classification accuracy from \(87.76\%\) to \(89.80\%\). The method also improves the macro \(F_1\)-score and performance on challenging classes such as meningioma. A hyper-parameter trade-off analysis demonstrates that the framework provides Pareto-optimal configurations, enabling control over the balance between compression and predictive performance. Moderate clustering with adaptive rank selection yields strong results. Bootstrap standard errors are reported for all classification metrics.

A widely cited result by Dong et al. (2021) showed that Transformers built from self-attention alone, without skip connections or feed-forward layers, suffer from rapid rank collapse: all token representations converge to a single direction. The proposed remedy was the MLP. We show that this picture, while correct in the regime studied by Dong, is incomplete in ways that matter for architectural understanding. Three results are established. First, layer normalisation is precisely affine-rank-neutral: it preserves the affine rank of the token representation set exactly. The widespread claim that LN "plays no role" is imprecise; the correct statement is sharper. Second, residual connections generically obstruct rank collapse in real Transformers such as BERT-base, in a measure-theoretic sense, without contribution from the MLP. The MLP's irreplaceable function is different: generating feature directions outside the linear span of the original token embeddings, which no stack of attention layers can produce. Third, a phenomenon distinct from rank collapse is identified: head-channel non-identifiability. After multi-head attention sums per-head outputs through the output projection, individual contributions cannot be canonically attributed to a specific head; n(H-1)d_k degrees of freedom per layer remain ambiguous when recovering a single head from the mixed signal. The MLP cannot remedy this because it acts on the post-summation signal. A constructive partial remedy is proposed: a position-gated output projection (PG-OP) at parameter overhead below 1.6% of the standard output projection. The four collapse phenomena identified in the literature -- rank collapse in depth, in width, head-channel non-identifiability, and entropy collapse -- are unified under a symmetry-breaking framework, each corresponding to a distinct symmetry of the Transformer's forward pass.

Accurate time series forecasting in scientific domains such as climate modeling, physiological monitoring, and energy systems benefits from both competitive predictions and model transparency: practitioners value understanding how a model transforms temporal features, not merely what it predicts. Transformer-based models achieve strong accuracy but their attention weights reveal only token-level relevance, not the functional transformations applied to each feature. This work proposes DECOMPKAN, a lightweight attention-free architecture that combines trend-residual decomposition, channel-wise patching, learned instance normalization, and B-spline Kolmogorov-Arnold Network (KAN) edge functions. Each KAN edge learns an explicit, inspectable 1D scalar function ϕ(x) over learned patch-embedding coordinates that can be directly visualized, offering a form of architectural transparency not directly available in attention-based or MLP-based architectures. On standard benchmarks, DECOMPKAN achieves best or tied-best MSE on 15 of 32 dataset-horizon combinations among selected published baselines, and achieves best or tied-best MSE on 20 of 36 comparisons (25 of 36 MAE; ties counted for all tied models) under a controlled same-recipe evaluation across 9 datasets including the physiological PPG-DaLiA benchmark. The architecture shows particular strength on datasets with smooth temporal dynamics (Solar 17%, ECL 10%vs.

We study learning with Chain-of-Thought (CoT) supervision from multiple thinkers, all of whom provide correct but possibly systematically different solutions, e.g., step-by-step solutions to math problems written by different thinkers, or step-by-step execution traces of different programs solving the same problem. We consider classes that are computationally easy to learn using CoT supervision from a single thinker, but hard to learn with only end-result supervision, i.e., without CoT (Joshi et al. 2025). We establish that, under cryptographic assumptions, learning can be hard from CoT supervision provided by two or a few different thinkers, in passive data-collection settings. On the other hand, we provide a generic computationally efficient active learning algorithm that learns with a small amount of CoT data per thinker that is completely independent of the target accuracy $\varepsilon$, a moderate number of thinkers that scales as $\log \frac{1}{\varepsilon}\log \log \frac{1}{\varepsilon}$, and sufficient passive end-result data that scales as $\frac{1}{\varepsilon}\cdot poly\log\frac{1}{\varepsilon}$.

In-context learning (ICL) is one of the most powerful and most unexpected capabilities to emerge in recent transformer-based large language models (LLMs). Yet the mechanisms that underlie it are poorly understood. In this paper, we demonstrate that comparable ICL capabilities can be acquired by an alternative sequence prediction learning method, namely clone-structured causal graphs (CSCGs). A key property of CSCGs is that, unlike transformer-based LLMs, they are interpretable, which considerably simplifies the task of explaining how ICL works. We show that ICL in CSCG uses a combination of (a) learning template (schema) circuits for pattern completion, (b) retrieving relevant templates in a context-sensitive manner, and (c) rebinding novel tokens to appropriate slots in the templates. We go on to marshall evidence for the hypothesis that similar mechanisms underlie ICL in LLMs. For example, we find that, with CSCGs as with LLMs, different capabilities emerge at different levels of overparameterization, suggesting that overparameterization helps in learning more complex template (schema) circuits. By showing how ICL can be achieved with small models and datasets, we open up a path to novel architectures, and take a vital step towards a more general understanding of the mechanics behind this important capability.

Proteomics is the interdisciplinary field focusing on the large-scale study of proteins. Proteins essentially organize and execute all functions within organisms. Today, the bottom-up analysis approach is the most commonly used workflow, where proteins are digested into peptides and subsequently analyzed using Tandem Mass Spectrometry (MS/MS). MS-based proteomics has transformed various fields in life sciences, such as drug discovery and biomarker identification. Today, proteomics is entering a phase where it is helpful for clinical decision-making. Computational methods are vital in turning large amounts of acquired raw MS data into information and, ultimately, knowledge.

Adversarial training suffers from robust overfitting, a phenomenon where the robust test accuracy starts to decrease during training. In this paper, we focus on reducing robust overfitting by using common data augmentation schemes. We demonstrate that, contrary to previous findings, when combined with model weight averaging, data augmentation can significantly boost robust accuracy. Furthermore, we compare various data augmentations techniques and observe that spatial composition techniques work best for adversarial training. Finally, we evaluate our approach on CIFAR-10 against ` and `2 norm-bounded perturbations of size = 8/255 and = 128/255, respectively. We show large absolute improvements of +2.93% and +2.16% in robust accuracy compared to previous state-of-the-art methods. In particular, against ` norm-bounded perturbations of size = 8/255, our model reaches 60.07%