Deep Neural Networks (DNNs) have attracted significant attention, and their internal models are now considered valuable intellectual assets. Extracting these internal models through access to a DNN is conceptually similar to extracting a secret key via oracle access to a block cipher. Consequently, cryptanalytic techniques, particularly differential-like attacks, have been actively explored recently. ReLU-based DNNs are the most commonly and widely deployed architectures. While early works (e.g., Crypto 2020, Eurocrypt 2024) assume access to exact output logits, which are usually invisible, more recent works (e.g., Asiacrypt 2024, Eurocrypt 2025) focus on the hard-label setting, where only the final classification result (e.g., "dog" or "car") is available to the attacker. Notably, Carlini et al. (Eurocrypt 2025) demonstrated that model extraction is feasible in polynomial time even under this restricted setting. In this paper, we first show that the assumptions underlying their attack become increasingly unrealistic as the attack-target depth grows. In practice, satisfying these assumptions requires an exponential number of queries with respect to the attack depth, implying that the attack does not always run in polynomial time. To address this critical limitation, we propose a novel attack method called CrossLayer Extraction. Instead of directly extracting the secret parameters (e.g., weights and biases) of a specific neuron, which incurs exponential cost, we exploit neuron interactions across layers to extract this information from deeper layers. This technique significantly reduces query complexity and mitigates the limitations of existing model extraction approaches.

A central challenge in high-energy nuclear physics is to extract informative features from the high-dimensional final-state data of heavy-ion collisions (HIC) in order to enable reliable downstream analyses. Traditional approaches often rely on selected observables, which may miss subtle but physically relevant structures in the data. To address this, we introduce a Transformer-based autoencoder trained with a two-stage paradigm: self-supervised pre-training followed by supervised fine-tuning. The pretrained encoder learns latent representations directly from unlabeled HIC data, providing a compact and information-rich feature space that can be adapted to diverse physics tasks. As a case study, we apply the method to distinguish between large and small collision systems, where it achieves significantly higher classification accuracy than PointNet. Principal component analysis and SHAP interpretation further demonstrate that the autoencoder captures complex nonlinear correlations beyond individual observables, yielding features with strong discriminative and explanatory power. These results establish our two-stage framework as a general and robust foundation for feature learning in HIC, opening the door to more powerful analyses of quark--gluon plasma properties and other emergent phenomena. The implementation is publicly available at https://github.com/Giovanni-Sforza/MaskPoint-AMPT.

Although Transformers excel in natural language processing, their extension to time series forecasting remains challenging due to insufficient consideration of the differences between textual and temporal modalities. In this paper, we develop a novel Transformer architecture designed for time series data, aiming to maximize its representational capacity. We identify two key but often overlooked characteristics of time series: (1) unidirectional influence from the past to the future, and (2) the phenomenon of decaying influence over time. These characteristics are introduced to enhance the attention mechanism of Transformers. We propose TimeFormer, whose core innovation is a self-attention mechanism with two modulation terms (MoSA), designed to capture these temporal priors of time series under the constraints of the Hawkes process and causal masking. Additionally, TimeFormer introduces a framework based on multi-scale and subsequence analysis to capture semantic dependencies at different temporal scales, enriching the temporal dependencies. Extensive experiments conducted on multiple real-world datasets show that TimeFormer significantly outperforms state-of-the-art methods, achieving up to a 7.45% reduction in MSE compared to the best baseline and setting new benchmarks on 94.04\% of evaluation metrics. Moreover, we demonstrate that the MoSA mechanism can be broadly applied to enhance the performance of other Transformer-based models.

We introduce Heptapod, an image autoregressive model that adheres to the foundational principles of language modeling. Heptapod employs \textbf{causal attention}, \textbf{eliminates reliance on CFG}, and \textbf{eschews the trend of semantic tokenizers}. Our key innovation is \textit{next 2D distribution prediction}: a causal Transformer with reconstruction-focused visual tokenizer, learns to predict the distribution over the entire 2D spatial grid of images at each timestep. This learning objective unifies the sequential modeling of autoregressive framework with the holistic self-supervised learning of masked autoencoding, enabling the model to capture comprehensive image semantics via generative training. On the ImageNet generation benchmark, Heptapod achieves an FID of $2.70$, significantly outperforming previous causal autoregressive approaches. We hope our work inspires a principled rethinking of language modeling on visual signals and beyond.

Reinforcement Learning from Human Feedback (RLHF) has become a cornerstone for aligning large language models (LLMs). However, its effectiveness depends on high-quality instruction data. Most existing alignment datasets are either private or require costly human annotation, which limits reproducibility and scalability. Even with Reinforcement Learning from AI Feedback (RLAIF), concerns about data quality remain. Moreover, it is unclear how much data is actually required to fine-tune a base model into a strong instruction-following model. Current approaches often rely on over 300k examples even at the supervised fine-tuning (SFT) stage, yet they still underperform compared to proprietary models, creating barriers for academic and resource-limited communities. To address this gap, we introduce PiKa, a data-efficient family of expert-level alignment datasets. In particular, the PiKa-SFT dataset uses only 30k SFT examples, far fewer than state-of-the-art datasets like Magpie. Through evaluations by fine-tuning Llama-3-8B-Base on PiKa and other public datasets, we show that PiKa-SFT outperforms models trained on much larger data. On AlpacaEval 2.0 and Arena-Hard benchmarks, PiKa-SFT fine-tuning even surpasses the official Llama-3-8B-Instruct model trained on over 10 million proprietary examples. We further extend our study by training the Qwen2.5 series (0.5B to 7B) on PiKa-SFT, achieving consistent gains. These findings demonstrate that high-quality alignment can be achieved with significantly less data, offering a scalable path for open-source LLM alignment. Code and data: https://github.com/SJY8460/PiKa.

Agents utilizing tools powered by large language models (LLMs) or vision-language models (VLMs) have demonstrated remarkable progress in diverse tasks across text and visual modalities. Unlike traditional tools such as calculators, which give deterministic outputs, neural tools perform uncertainly across task scenarios. While different tools for a task may excel in varied scenarios, existing agents typically rely on fixed tools, thus limiting the flexibility in selecting the most suitable tool for specific tasks. In contrast, humans snowball their understanding of the capabilities of different tools by interacting with them, and apply this knowledge to select the optimal tool when solving a future task. To build agents that similarly benefit from this process, we propose ToolMem that enables agents to develop memories of tool capabilities from previous interactions, by summarizing their strengths and weaknesses and storing them in memory; at inference, the agent can retrieve relevant entries from ToolMem, and select the best tool to solve individual tasks more accurately. We evaluate ToolMem on learning varied text generation and text-to-image generation neural tools. Compared to no-memory, generic agents, we find ToolMem-augmented agents predict tool performance 14.8% and 28.7% more accurately across text and multimodal generation scenarios. Moreover, ToolMem facilitates optimal tool selection among multiple choices by 21% and 24% absolute increases in respective scenarios.

Traditional reinforcement learning from human feedback (RLHF) for large language models (LLMs) relies on expensive human-annotated datasets, while Reinforcement Learning from AI Feedback (RLAIF) also incurs significant costs, requiring the collection of diverse prompts and corresponding responses, often necessitating external reward models or proprietary models like GPT-4 to annotate preference pairs. In this work, we introduce Self-Alignment Optimization (SAO), a fully self-synthetic framework for LLM alignment, where all training data, including prompts (i.e., user queries), responses, and preferences, are generated by the model itself. Specifically, SAO first instructs the LLM to engage in persona role-play and generate diverse prompts and responses, which are then self-evaluated for preference optimization. Extensive experiments demonstrate that SAO effectively enhances the model's chat capabilities on standard benchmarks like AlpacaEval~2.0, while maintaining strong performance on downstream objective tasks (e.g., question-answering, math reasoning). Our work provides a practical solution for self-improvement in aligning LLMs, and the code for reproducing our results is available at: https://github.com/SJY8460/SAO.

The Forward-Forward (FF) Algorithm is a recently proposed learning procedure for neural networks that employs two forward passes instead of the traditional forward and backward passes used in backpropagation. However, FF remains largely confined to supervised settings, leaving a gap at domains where learning signals can be yielded more naturally such as RL. In this work, inspired by FF's goodness function using layer activity statistics, we introduce Action-conditioned Root mean squared Q-Functions (ARQ), a novel value estimation method that applies a goodness function and action conditioning for local RL using temporal difference learning. Despite its simplicity and biological grounding, our approach achieves superior performance compared to state-of-the-art local backprop-free RL methods in the MinAtar and the DeepMind Control Suite benchmarks, while also outperforming algorithms trained with backpropagation on most tasks. Code can be found at https://github.com/agentic-learning-ai-lab/arq.

A core challenge in scientific machine learning, and scientific computing more generally, is modeling continuous phenomena which (in practice) are represented discretely. Machine-learned operators (MLOs) have been introduced as a means to achieve this modeling goal, as this class of architecture can perform inference at arbitrary resolution. In this work, we evaluate whether this architectural innovation is sufficient to perform "zero-shot super-resolution," namely to enable a model to serve inference on higher-resolution data than that on which it was originally trained. We comprehensively evaluate both zero-shot sub-resolution and super-resolution (i.e., multi-resolution) inference in MLOs. We decouple multi-resolution inference into two key behaviors: 1) extrapolation to varying frequency information; and 2) interpolating across varying resolutions. We empirically demonstrate that MLOs fail to do both of these tasks in a zero-shot manner. Consequently, we find MLOs are not able to perform accurate inference at resolutions different from those on which they were trained, and instead they are brittle and susceptible to aliasing. To address these failure modes, we propose a simple, computationally-efficient, and data-driven multi-resolution training protocol that overcomes aliasing and that provides robust multi-resolution generalization.

Non-Negative Matrix Factorization (NMF) is an unsupervised learning method offering low-rank representations across various domains such as audio processing, biomedical signal analysis, and image recognition. The incorporation of $α$-divergence in NMF formulations enhances flexibility in optimization, yet extending these methods to multi-layer architectures presents challenges in ensuring convergence. To address this, we introduce a novel approach inspired by the Boltzmann probability of the energy barriers in chemical reactions to theoretically perform convergence analysis. We introduce a novel method, called Chem-NMF, with a bounding factor which stabilizes convergence. To our knowledge, this is the first study to apply a physical chemistry perspective to rigorously analyze the convergence behaviour of the NMF algorithm. We start from mathematically proven asymptotic convergence results and then show how they apply to real data. Experimental results demonstrate that the proposed algorithm improves clustering accuracy by 5.6% $\pm$ 2.7% on biomedical signals and 11.1% $\pm$ 7.2% on face images (mean $\pm$ std).