Hardware-A ware Neural Architecture Search (HW-NAS) requires joint optimization of accuracy and latency under device constraints. Traditional supernet-based methods require multiple GPU days per dataset. Large Language Model (LLM)- driven approaches avoid training a large supernet and can provide quick feedback, but we observe an exploration bias: the LLM repeatedly proposes neural network designs within limited search space and fails to discover architectures across different latency ranges in the entire search space. To address this issue, we propose LLM-NAS: an LLM-driven Neural Architecture Search that can generate neural networks with high accuracy and low latency with reduced search cost. Our proposed LLM-NAS has three key components: 1) a complexity-driven partitioning engine that divides the search space by complexity to enforce diversity and mitigate exploration bias; 2) an LLM-powered architecture prompt co-evolution operator, in which the LLM first updates a knowledge base of design heuristics based on results from the previous round, then performs a guided evolution algorithm on architectures with prompts that incorporate this knowledge base. Prompts and designs improve together across rounds which avoids random guesswork and improve efficiency; 3) a zero-cost predictor to avoid training a large number of candidates from scratch. Experimental results show that on HW-NAS-Bench, LLM-NAS can achieve overall higher HV, lower IGD, and up to 54% lower latency than baselines at similar accuracy. Meanwhile, the search cost drops from days to minutes compared with traditional supernet baselines. As deep learning expands into resource-constrained environments such as the Internet of Things (IoT) devices, Hardware-A ware Neural Architecture Search (HW-NAS) becomes essential for discovering models that optimize the trade-off between accuracy and inference latency Benmeziane et al. (2021b;a).

Social recommendation has been proven effective in addressing data sparsity in user-item interaction modeling by leveraging social networks. The recent integration of Graph Neural Networks (GNNs) has further enhanced prediction accuracy in contemporary social recommendation algorithms. However, many GNN-based approaches in social recommendation lack the ability to furnish meaningful explanations for their predictions. In this study, we confront this challenge by introducing SoREX, a self-explanatory GNN-based social recommendation framework. SoREX adopts a two-tower framework enhanced by friend recommendation, independently modeling social relations and user-item interactions, while jointly optimizing an auxiliary task to reinforce social signals. To offer explanations, we propose a novel ego-path extraction approach. This method involves transforming the ego-net of a target user into a collection of multi-hop ego-paths, from which we extract factor-specific and candidate-aware ego-path subsets as explanations. This process facilitates the summarization of detailed comparative explanations among different candidate items through intricate substructure analysis. Furthermore, we conduct explanation re-aggregation to explicitly correlate explanations with downstream predictions, imbuing our framework with inherent self-explainability. Comprehensive experiments conducted on four widely adopted benchmark datasets validate the effectiveness of SoREX in predictive accuracy. Additionally, qualitative and quantitative analyses confirm the efficacy of the extracted explanations in SoREX. Our code and data are available at https://github.com/antman9914/SoREX.

Recent black-box counterfactual generation frameworks fail to take into account the semantic content of the proposed edits, while relying heavily on training to guide the generation process. We propose a novel, plug-and-play black-box counterfactual generation framework, which suggests step-by-step edits based on theoretical guarantees of optimal edits to produce human-level counterfactual explanations with zero training. Our framework utilizes a pre-trained image editing diffusion model, and operates without access to the internals of the classifier, leading to an explainable counterfactual generation process. Throughout our experimentation, we showcase the explanatory gap between human reasoning and neural model behavior by utilizing both Convolutional Neural Network (CNN), Vision Transformer (ViT) and Large Vision Language Model (LVLM) classifiers, substantiated through a comprehensive human evaluation.

Sparse Autoencoders (SAEs) are widely employed for mechanistic interpretabil-ity and model steering. Within this context, steering is by design performed by means of decoding altered SAE intermediate representations. In contrast to existing literature, we forward an encoder-centric alternative to model steering which demonstrates a stronger cross-modal performance. We introduce S&P T op-K, a retraining-free and computationally lightweight Selection and Projection framework that identifies T op-K encoder features aligned with a sensitive attribute or behavior, optionally aggregates them into a single control axis, and computes an orthogonal projection to be subsequently applied directly in the model's native embedding space. In vision-language models, it improves fairness metrics on CelebA and FairFace by up to 3.2 times over conventional SAE usage, and in large language models, it substantially reduces aggressiveness and sycophancy in Llama-3 8B Instruct, achieving up to 3.6 times gains over masked reconstruction. These findings suggest that encoder-centric interventions provide a general, efficient, and more effective mechanism for shaping model behavior at inference time than the traditional decoder-centric use of SAEs.Figure 1: Sample generation demonstrating behavioral steering interventions on Llama 3 8B Instruct prompted to produce a sycophantic opinion. We apply two Sparse Autoencoder (SAE)-based methods to remove sycophancy: the conventional decoder-centric Masked Reconstruction approach and our proposed encoder-centric S&P Top-K protocol. Lower LLM-as-a-judge sycophancy scores indicate superior mitigation of the targeted behavioral pattern. The results illustrate that conventional Masked Reconstruction fails to suppress sycophantic behavior, while our S&P Top-K intervention successfully redirects the model's output, eliminating direct praise, repeatedly deferring endorsement, and leading the model to ultimately employ laudatory language in a sarcastic manner that subverts the original sycophantic intent. The main steps of our approach are highlighted in green. We first employ a selection mechanism to identify relevant SAE features.

Operator learning offers a robust framework for approximating mappings between infinite-dimensional function spaces. It has also become a powerful tool for solving inverse problems in the computational sciences. This chapter surveys methodological and theoretical developments at the intersection of operator learning and inverse problems. It begins by summarizing the probabilistic and deterministic approaches to inverse problems, and pays special attention to emerging measure-centric formulations that treat observed data or unknown parameters as probability distributions. The discussion then turns to operator learning by covering essential components such as data generation, loss functions, and widely used architectures for representing function-to-function maps. The core of the chapter centers on the end-to-end inverse operator learning paradigm, which aims to directly map observed data to the solution of the inverse problem without requiring explicit knowledge of the forward map. It highlights the unique challenge that noise plays in this data-driven inversion setting, presents structure-aware architectures for both point predictions and posterior estimates, and surveys relevant theory for linear and nonlinear inverse problems. The chapter also discusses the estimation of priors and regularizers, where operator learning is used more selectively within classical inversion algorithms.

Large Language Models (LLMs) increasingly exhibit over-refusal - erroneously rejecting benign queries due to overly conservative safety measures - a critical functional flaw that undermines their reliability and usability. Current methods for testing this behavior are demonstrably inadequate, suffering from flawed benchmarks and limited test generation capabilities, as highlighted by our empirical user study. To the best of our knowledge, this paper introduces the first evolutionary testing framework, ORFuzz, for the systematic detection and analysis of LLM over-refusals. ORFuzz uniquely integrates three core components: (1) safety category-aware seed selection for comprehensive test coverage, (2) adaptive mutator optimization using reasoning LLMs to generate effective test cases, and (3) OR-Judge, a human-aligned judge model validated to accurately reflect user perception of toxicity and refusal. Our extensive evaluations demonstrate that ORFuzz generates diverse, validated over-refusal instances at a rate (6.98% average) more than double that of leading baselines, effectively uncovering vulnerabilities. Furthermore, ORFuzz's outputs form the basis of ORFuzzSet, a new benchmark of 1,855 highly transferable test cases that achieves a superior 63.56% average over-refusal rate across 10 diverse LLMs, significantly outperforming existing datasets. ORFuzz and ORFuzzSet provide a robust automated testing framework and a valuable community resource, paving the way for developing more reliable and trustworthy LLM-based software systems.

Retrosynthesis prediction aims to infer the reactant molecule based on a given product molecule, which is a fundamental task in chemical synthesis. However, existing models rely on static pattern-matching paradigm, which limits their ability to perform effective logic decision-making, leading to black-box decision-making. Building on this, we propose Retro-Expert, an interpretable retrosyn-thesis framework that performs collaborative reasoning by combining the complementary reasoning strengths of Large Language Models and specialized models via reinforcement learning. It outputs natural language explanations grounded in chemical logic through three components: (1) specialized models analyze the product to construct high-quality chemical decision space, (2) LLM-driven critical reasoning to generate predictions and corresponding interpretable reasoning path, and (3) reinforcement learning optimizing interpretable decision policy. Experiments show that Retro-Expert not only surpasses both LLM-based and specialized models across different metrics but also provides expert-aligned explanations that bridge the gap between AI predictions and actionable chemical insights.

A different approach, Reparameter-ized Discrete diffusion Models (RDMs) [62], establishes an alternative formulation for the reverse process, which simplifies the training objective to a weighted cross-entropy loss. This enables more flexible and adaptive decoding strategies, leading to significant performance gains over previous discrete diffusion models. Similarly, MD4 [63] derives a simple weighted integral of cross-entropy losses as the continuous-time variational objective of masked diffusion models, providing a simple and generalized framework for training DLMs. Another analogous approach is MDLM [64], which introduces a simplified, Rao-Blackwellized objective that takes the form of a weighted average of masked language modeling losses. Diffusion-LLM [65] demonstrates the scalability of DLMs by adapting pre-trained masked language models to diffusion paradigm and further task-specific finetuning and instruction finetuning, unlocking their versatility in solving general language tasks. Diffusion-NAT [66] unifies a discrete diffusion model with a PLM by reformulating the denoising process as a non-autoregressive masked token recovery task, allowing BART to act as an effective denoiser. Plaid [67] is the first diffusion language model trained to maximize data likelihood, demonstrating through scaling laws that it can outperform autoregressive models like GPT-2 on standard benchmarks. T o improve the training objective, SEDD [68] introduces a score entropy loss to directly learn the ratios of the data distribution, which serves as a discrete extension of score matching. Reparameterized Absorbing Discrete Diffusion (RADD) [69] reveals that the concrete score in absorbing diffusion can be expressed as a time-independent conditional probability of the clean data, multiplied by an analytic, time-dependent scalar.

Can democratized information gatekeepers and community note writers effectively decide what scientific information to amplify? Lacking domain expertise, such gatekeepers rely on automated reasoning agents that use RAG to ground evidence to cited sources. But such standard RAG systems validate summaries via semantic grounding and suffer from "methodological blindness," treating all cited evidence as equally valid regardless of rigor. To address this, we introduce VERIRAG, a post-retrieval auditing framework that shifts the task from classification to methodological vulnerability detection. Using private Small Language Models (SLMs), VERIRAG audits source papers against the Veritable taxonomy of statistical rigor. We contribute: (1) a benchmark of 1,730 summaries with realistic, non-obvious perturbations modeled after retracted papers; (2) the auditable Veritable taxonomy; and (3) an operational system that improves Macro F1 by at least 19 points over baselines using GPT-based SLMs, a result that replicates across MISTRAL and Gemma architectures. Given the complexity of detecting non-obvious flaws, we view VERIRAG as a "vulnerability-detection copilot," providing structured audit trails for human editors. In our experiments, individual human testers found over 80% of the generated audit trails useful for decision-making. We plan to release the dataset and code to support responsible science advocacy.

With the rise of robotics, LiDAR-based 3D object detection has garnered significant attention in both academia and industry. However, existing datasets and methods predominantly focus on vehicle-mounted platforms, leaving other autonomous platforms underexplored. To bridge this gap, we introduce Pi3DET, the first benchmark featuring LiDAR data and 3D bounding box annotations collected from multiple platforms: vehicle, quadruped, and drone, thereby facilitating research in 3D object detection for non-vehicle platforms as well as cross-platform 3D detection. Based on Pi3DET, we propose a novel cross-platform adaptation framework that transfers knowledge from the well-studied vehicle platform to other platforms. This framework achieves perspective-invariant 3D detection through robust alignment at both geometric and feature levels. Additionally, we establish a benchmark to evaluate the resilience and robustness of current 3D detectors in cross-platform scenarios, providing valuable insights for developing adaptive 3D perception systems. Extensive experiments validate the effectiveness of our approach on challenging cross-platform tasks, demonstrating substantial gains over existing adaptation methods. We hope this work paves the way for generalizable and unified 3D perception systems across diverse and complex environments. Our Pi3DET dataset, cross-platform benchmark suite, and annotation toolkit have been made publicly available.