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 Overview


DesignX: Human-Competitive Algorithm Designer for Black-Box Optimization

Neural Information Processing Systems

Designing effective black-box optimizers is hampered by limited problem-specific knowledge and manual control that spans months for almost every detail. In this paper, we present DesignX, the first automated algorithm design framework that generates an effective optimizer specific to a given black-box optimization problem within seconds. Rooted in the first principles, we identify two key sub-tasks: 1) algorithm structure generation and 2) hyperparameter control. To enable systematic construction, a comprehensive modular algorithmic space is first built, embracing hundreds of algorithm components collected from decades of research. We then introduce a dual-agent reinforcement learning system that collaborates on structural and parametric design through a novel cooperative training objective, enabling large-scale meta-training across 10k diverse instances. Remarkably, through days of autonomous learning, the DesignX-generated optimizers continuously surpass human-crafted optimizers by orders of magnitude, either on synthetic testbed or on realistic optimization scenarios such as Protein-docking, AutoML and UAV path planning. Further in-depth analysis reveals DesignX's capability to discover non-trivial algorithm patterns beyond expert intuition, which, conversely, provides valuable design insights for the optimization community.


Clip-and-Verify: Linear Constraint-Driven Domain Clipping for Accelerating Neural Network Verification

Neural Information Processing Systems

State-of-the-art neural network (NN) verifiers demonstrate that applying the branchand-bound (BaB) procedure with fast bounding techniques plays a key role in tackling many challenging verification properties. In this work, we introduce the linear constraint-driven clipping framework, a class of scalable and efficient methods designed to enhance the efficacy of NN verifiers. Under this framework, we develop two novel algorithms that efficiently utilize linear constraints to 1) reduce portions of the input space that are either verified or irrelevant to a subproblem in the context of branch-and-bound, and 2) directly improve intermediate bounds throughout the network. The process novelly leverages linear constraints that often arise from bound propagation methods and is general enough to also incorporate constraints from other sources. It efficiently handles linear constraints using a specialized GPU procedure that can scale to large neural networks without the use of expensive external solvers. Our verification procedure, Clip-and-Verify, consistently tightens bounds across multiple benchmarks and can significantly reduce the number of subproblems handled during BaB. We show that our clipping algorithms can be integrated with BaB-based verifiers such as ฮฑ,ฮฒ-CROWN, utilizing either the split constraints in activation-space BaB or the output constraints that denote the unverified input space. We demonstrate the effectiveness of our procedure on a broad range of benchmarks where, in some instances, we witness a 96% reduction in the number of subproblems during branch-and-bound, and also achieve state-of-the-art verified accuracy across multiple benchmarks. Clip-and-Verify is part of the ฮฑ,ฮฒ-CROWNverifier, the VNN-COMP 2025 winner.


SQL-R1: Training Natural Language to SQL Reasoning Model By Reinforcement Learning

Neural Information Processing Systems

Natural Language to SQL (NL2SQL) enables intuitive interactions with databases by transforming natural language queries into structured SQL statements. Despite recent advancements in enhancing human-computer interaction within database applications, significant challenges persist, particularly regarding the reasoning performance in complex scenarios involving multi-table joins and nested queries. Current methodologies primarily utilize supervised fine-tuning (SFT) to train the NL2SQL model, which may limit adaptability and interpretability in new environments (e.g., finance and healthcare). In order to enhance the reasoning performance of the NL2SQL model in the above complex situations, we introduce SQL-R1, a novel NL2SQL reasoning model trained by the reinforcement learning (RL) algorithms. We design a specialized RL-based reward function tailored for NL2SQL tasks and discussed the impact of cold start and synthetic data on the effectiveness of intensive training. In addition, we achieve competitive accuracy using only a tiny amount of synthetic NL2SQL data for augmented training and further explore data engineering for RL. In existing experiments, SQL-R1 achieves execution accuracy of 88.6% and 67.1% on the benchmark Spider and BIRD, respectively.


Minimax Adaptive Online Nonparametric Regression over Besov spaces

Neural Information Processing Systems

This adaptive mechanism adjusts the resolution of the predictions over both time and space, yielding refined regret bounds in terms of local regularity. Consequently, in heterogeneous environments, our adaptive guarantees can significantly surpass those obtained by standard global methods.


Towards Building Model/Prompt-Transferable Attackers against Large Vision-Language Models

Neural Information Processing Systems

Although Large Vision-Language Models (LVLMs) exhibit impressive multimodal capabilities, their vulnerability to adversarial examples has raised serious security concerns. Existing LVLM attackers simply optimize adversarial images that easily overfit a certain model/prompt, making them ineffective once they are transferred to attack a different model/prompt. Motivated by this research gap, this paper aims to develop a more powerful attack that is transferable to black-box LVLM models of different structures and task-aware prompts of different semantics. Specifically, we introduce a new perspective of information theory to investigate LVLMs' transferable characteristics by exploring the relative dependence between outputs of the LVLM model and input adversarial samples. Our empirical observations suggest that enlarging/decreasing the mutual information between outputs and the disentangled adversarial/benign patterns of input images helps to generate more agnostic perturbations for misleading LVLMs' perception with better transferability. In particular, we formulate the complicated calculation of information gain as an estimation problem and incorporate such informative constraints into the adversarial learning process. Extensive experiments on various LVLM models/prompts demonstrate our significant transfer-attack performance.


CTRL-ALT-DECEIT Sabotage Evaluations for Automated AIR&D

Neural Information Processing Systems

AI systems are increasingly able to autonomously conduct realistic software engineering tasks, and may soon be deployed to automate machine learning (ML) R&D itself. Frontier AI systems may be deployed in safety-critical settings, including to help ensure the safety of future systems. Unfortunately, frontier and future systems may not be sufficiently trustworthy, and there is evidence that these systems may even be misaligned with their developers or users. Therefore, we investigate the capabilities of AI agents to act against the interests of their users when conducting ML engineering, by sabotaging ML models, sandbagging their performance, and subverting oversight mechanisms. First, we extend MLE-Bench, a benchmark for realistic ML tasks, with code-sabotage tasks such as implanting backdoors and purposefully causing generalisation failures.


Unveiling the Learning Mind of Language Models: A Cognitive Framework and Empirical Study

Neural Information Processing Systems

Large language models (LLMs) have shown impressive capabilities across tasks such as mathematics, coding, and reasoning, yet their learning ability, which is crucial for adapting to dynamic environments and acquiring new knowledge, remains underexplored. In this work, we address this gap by introducing a framework inspired by cognitive psychology and education. Specifically, we decompose general learning ability into three distinct, complementary dimensions: Learning from Instructor (acquiring knowledge via explicit guidance), Learning from Concept (internalizing abstract structures and generalizing to new contexts), and Learning from Experience (adapting through accumulated exploration and feedback). We conduct a comprehensive empirical study across the three learning dimensions and identify several insightful findings, such as (i) interaction improves learning; (ii) conceptual understanding is scale-emergent and benefits larger models; and (iii) LLMs are effective few-shot learners but not many-shot learners. Based on our framework and empirical findings, we introduce a benchmark that provides a unified and realistic evaluation of LLMs' general learning abilities across three learning cognition dimensions. It enables diagnostic insights and supports evaluation and development of more adaptive and human-like models. The code is available here 2.


On the Relation between Rectified Flows and Optimal Transport

Neural Information Processing Systems

This paper investigates the connections between rectified flows, flow matching, and optimal transport. Flow matching is a recent approach to learning generative models by estimating velocity fields that guide transformations from a source to a target distribution. Rectified flow matching aims to straighten the learned transport paths, yielding more direct flows between distributions. Our first contribution is a set of invariance properties of rectified flows and explicit velocity fields. In addition, we also provide explicit constructions and analysis in the Gaussian (not necessarily independent) and Gaussian mixture settings and study the relation to optimal transport. Our second contribution addresses recent claims suggesting that rectified flows, when constrained such that the learned velocity field is a gradient, can yield (asymptotically) solutions to optimal transport problems. We study the existence of solutions for this problem and demonstrate that they only relate to optimal transport under assumptions that are significantly stronger than those previously acknowledged. In particular, we present several counterexamples that invalidate earlier equivalence results in the literature, and we argue that enforcing a gradient constraint on rectified flows is, in general, not a reliable method for computing optimal transport maps.


TabSTAR: ATabular Foundation Model for Tabular Data with Text Fields

Neural Information Processing Systems

While deep learning has achieved remarkable success across many domains, it has historically underperformed on tabular learning tasks, which remain dominated by gradient boosting decision trees. However, recent advancements are paving the way for Tabular Foundation Models, which can leverage real-world knowledge and generalize across diverse datasets, particularly when the data contains free-text. Although incorporating language model capabilities into tabular tasks has been explored, most existing methods utilize static, target-agnostic textual representations, limiting their effectiveness. We introduce TabSTAR: a Tabular Foundation Model with Semantically Target-Aware Representations. TabSTAR is designed to enable transfer learning on tabular data with textual features, with an architecture free of dataset-specific parameters. It unfreezes a pretrained text encoder and takes as input target tokens, which provide the model with the context needed to learn task-specific embeddings. TabSTAR achieves state-of-the-art performance for both medium-and large-sized datasets across known benchmarks of classification tasks with text features, and its pretraining phase exhibits scaling laws in the number of datasets, offering a pathway for further performance improvements.1


Efficient Adaptive Federated Optimization

Neural Information Processing Systems

Adaptive optimization is critical in federated learning, where enabling adaptivity on both the server and client sides has proven essential for achieving optimal performance. However, the scalability of such jointly adaptive systems is often hindered by resource limitations in communication and memory. In this paper, we introduce a class of efficient adaptive algorithms, named FedAda2 and its enhanced version FedAda2++, designed specifically for large-scale, cross-device federated environments.