Reinforcement Learning from Human Feedback (RLHF) is essential for aligning large language models (LLMs) with human preferences and values. While recent research has primarily focused on algorithmic advancements--such as reducing computational overhead or strengthening reward models to mitigate reward hacking--the critical role of prompt-data construction and its scalability has received comparatively less attention. In this paper, we address this gap by systematically exploring data-driven bottlenecks that currently hinder RLHF performance scaling, focusing specifically on the challenges posed by reward hacking and decreasing response diversity. To mitigate reward hacking, we introduce a hybrid reward system combining reasoning task verifiers (RTV) and a generative reward model (GenRM). This approach enables accurate assessment of responses against clearly defined ground-truth solutions. Additionally, in order to ensure response diversity and enhance learning effectiveness, we propose a novel prompt-selection method named Pre-PPO, explicitly identifying training prompts that are inherently challenging and thus less prone to reward hacking.

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.

Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up Continuous Normalizing Flows (CNFs), scale them to more complex molecular systems, and minimize the length of the flow integration trajectories. We investigate the benefits of using Path Gradients to fine-tune CNFs initially trained by Flow Matching, in a setting where the target energy is known. Our experiments show that this hybrid approach yields up to a threefold increase in sampling efficiency for molecular systems, all while using the same model, a similar computational budget and without the need for additional sampling. Furthermore, by measuring the length of the flow trajectories during fine-tuning, we show that Path Gradients largely preserve the learned structure of the flow.

Causal effect estimation is critical to a range of scientific disciplines. Existing methods for this task either require interventional data, knowledge about the ground-truth causal graph, or rely on assumptions such as unconfoundedness, restricting their applicability in real-world settings. In the domain of tabular machine learning, Prior-data fitted networks (PFNs) have achieved state-of-theart predictive performance, having been pre-trained on synthetic causal data to solve tabular prediction problems via in-context learning. To assess whether this can be transferred to the problem of causal effect estimation, we pre-train PFNs on synthetic data drawn from a wide variety of causal structures, including interventions, to predict interventional outcomes given observational data. Through extensive experiments in synthetic and semi-synthetic settings, we show that our approach allows for the accurate estimation of causal effects without knowledge of the underlying causal graph.

Conformal prediction offers a distribution-free framework for constructing prediction sets with coverage guarantees. In practice, multiple valid conformal prediction sets may be available, arising from different models or methodologies. However, selecting the most desirable set, such as the smallest, can invalidate the coverage guarantees. To address this challenge, we propose a stability-based approach that ensures coverage for the selected prediction set. We extend our results to the online conformal setting, propose several refinements in settings where additional structure is available, and demonstrate its effectiveness through experiments.

Graph Neural Networks (GNNs) are powerful models for node classification, but their performance is heavily reliant on manually labeled data, which is often costly and results in insufficient labeling. Recent studies have shown that message-passing neural networks struggle to propagate information in low-degree nodes, negatively affecting overall performance. To address the information bias caused by degree imbalance, we propose a Learnable Enhancement and Label Selection Dynamic Graph Convolutional Network (L2DGCN). L2DGCN consists of a teacher model and a student model. The teacher model employs an improved label propagation mechanism that enables remote label information dissemination among all nodes.

We address the challenge of adopting language models (LMs) for embodied tasks in dynamic environments, where online access to large-scale inference engines or symbolic planners is constrained due to latency, connectivity, and resource limitations. To this end, we present NESYPR, a novel embodied reasoning framework that compiles knowledge via neurosymbolic proceduralization, thereby equipping LM-based agents with structured, adaptive, and timely reasoning capabilities. In NESYPR, task-specific plans are first explicitly generated by a symbolic tool leveraging its declarative knowledge. These plans are then transformed into composable procedural representations that encode the plans' implicit production rules, enabling the resulting composed procedures to be seamlessly integrated into the LM's inference process. This neurosymbolic proceduralization abstracts and generalizes multi-step symbolic structured path-finding and reasoning into single-step LM inference, akin to human knowledge compilation. It supports efficient test-time inference without relying on external symbolic guidance, making it well suited for deployment in latency-sensitive and resource-constrained physical systems. We evaluate NESYPR on the embodied benchmarks PDDLGym, VirtualHome, and ALFWorld, demonstrating its efficient reasoning capabilities over large-scale reasoning models and a symbolic planner, while using more compact LMs.

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.

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.

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.