Overview
MLR-Bench: Evaluating AIAgents on Open-Ended Machine Learning Research Hui Chen Miao Xiong Yujie Lu Wei Han Ailin Deng Yufei He Jiaying Wu Yibo Li
Recent advancements in AI agents have demonstrated their growing potential to drive and support scientific discovery. In this work, we introduce MLR-Bench, a comprehensive benchmark for evaluating AI agents on open-ended machine learning research. MLR-Bench includes three key components: (1) 201 research tasks sourced from NeurIPS, ICLR, and ICML workshops covering diverse ML topics; (2) MLR-Judge, an automated evaluation framework combining LLMbased reviewers with carefully designed review rubrics to assess research quality; and (3) MLR-Agent, a modular agent scaffold capable of completing research tasks through four stages: idea generation, proposal formulation, experimentation, and paper writing. Our framework supports both stepwise assessment across these distinct research stages, and end-to-end evaluation of the final research paper. We then use MLR-Bench to evaluate six frontier LLMs and an advanced coding agent, finding that while LLMs are effective at generating coherent ideas and well-structured papers, current coding agents frequently (e.g., in 80% of the cases) produce fabricated or invalidated experimental results--posing a major barrier to scientific reliability.
The Atlas of In-Context Learning: How Attention Heads Shape In-Context Retrieval Augmentation
Large language models are able to exploit in-context learning to access external knowledge beyond their training data through retrieval-augmentation. While promising, its inner workings remain unclear. In this work, we shed light on the mechanism of in-context retrieval augmentation for question answering by viewing a prompt as a composition of informational components. We propose an attributionbased method to identify specialized attention heads, revealing in-context heads that comprehend instructions and retrieve relevant contextual information, and parametric heads that store entities' relational knowledge. To better understand their roles, we extract function vectors and modify their attention weights to show how they can influence the answer generation process. Finally, we leverage the gained insights to trace the sources of knowledge used during inference, paving the way towards more safe and transparent language models.
Antidistillation Sampling
Frontier models that generate extended reasoning traces inadvertently produce token sequences that can facilitate model distillation. Recognizing this vulnerability, model owners may seek sampling strategies that limit the effectiveness of distillation without compromising model performance. Antidistillation sampling provides exactly this capability.
Learning to Reason under Off-Policy Guidance
Recent advances in large reasoning models (LRMs) demonstrate that sophisticated behaviors such as multi-step reasoning and self-reflection can emerge via reinforcement learning with verifiable rewards (RLVR). However, existing RLVR approaches are inherently "on-policy", limiting learning to a model's own outputs and failing to acquire reasoning abilities beyond its initial capabilities. To address this issue, we introduce LUFFY (Learning to reason Under oFF-policY guidance), a framework that augments RLVR with off-policy reasoning traces. LUFFY dynamically balances imitation and exploration by combining off-policy demonstrations with on-policy rollouts during training. Specifically, LUFFY combines the MixedPolicy GRPO framework, which has a theoretically guaranteed convergence rate, alongside policy shaping via regularized importance sampling to avoid superficial and rigid imitation during mixed-policy training. Compared with previous RLVR methods, LUFFY achieves an over +6.4 average gain across six math benchmarks and an advantage of over +6.2 points in out-of-distribution tasks. Most significantly, we show that LUFFY successfully trains weak models in scenarios where on-policy RLVR completely fails. These results provide compelling evidence that LUFFY transcends the fundamental limitations of on-policy RLVR and demonstrates the great potential of utilizing off-policy guidance in RLVR.
Pairwise Optimal Transports for Training All-to-All Flow-Based Condition Transfer Model
In this paper, we propose a flow-based method for learning all-to-all transfer maps among conditional distributions that approximates pairwise optimal transport. The proposed method addresses the challenge of handling the case of continuous conditions, which often involve a large set of conditions with sparse empirical observations per condition. We introduce a novel cost function that enables simultaneous learning of optimal transports for all pairs of conditional distributions. Our method is supported by a theoretical guarantee that, in the limit, it converges to the pairwise optimal transports among infinite pairs of conditional distributions. The learned transport maps are subsequently used to couple data points in conditional flow matching. We demonstrate the effectiveness of this method on synthetic and benchmark datasets, as well as on chemical datasets in which continuous physical properties are defined as conditions.
ViSpec: Accelerating Vision-Language Models with Vision-Aware Speculative Decoding
Speculative decoding is a widely adopted technique for accelerating inference in large language models (LLMs), yet its application to vision-language models (VLMs) remains underexplored, with existing methods achieving only modest speedups (< 1.5). This gap is increasingly significant as multimodal capabilities become central to large-scale models. We hypothesize that large VLMs can effectively filter redundant image information layer by layer without compromising textual comprehension, whereas smaller draft models struggle to do so. To address this, we introduce Vision-Aware Speculative Decoding (ViSpec), a novel framework tailored for VLMs. ViSpec employs a lightweight vision adaptor module to compress image tokens into a compact representation, which is seamlessly integrated into the draft model's attention mechanism while preserving original image positional information. Additionally, we extract a global feature vector for each input image and augment all subsequent text tokens with this feature to enhance multimodal coherence. To overcome the scarcity of multimodal datasets with long assistant responses, we curate a specialized training dataset by repurposing existing datasets and generating extended outputs using the target VLM with modified prompts. Our training strategy mitigates the risk of the draft model exploiting direct access to the target model's hidden states, which could otherwise lead to shortcut learning when training solely on target model outputs.
Bandit Guided Submodular Curriculum for Adaptive Subset Selection
Traditional curriculum learning proceeds from easy to hard samples, yet defining a reliable notion of difficulty remains elusive. Prior work has used submodular functions to induce difficulty scores in curriculum learning. We reinterpret adaptive subset selection and formulate it as a multi-armed bandit problem, where each arm corresponds to a submodular function guiding sample selection. We introduce ONLINESUBMOD, a novel online greedy policy that optimizes a utility-driven reward and provably achieves no-regret performance under various sampling regimes. Empirically, ONLINESUBMOD outperforms both traditional curriculum learning and bi-level optimization approaches across vision and language datasets, showing superior accuracy-efficiency tradeoffs. More broadly, we show that validationdriven reward metrics offer a principled way to guide the curriculum schedule. Our code is publicly available at GitHub 2.
Transformers for Mixed-type Event Sequences
Event sequences appear widely in domains such as medicine, finance, and remote sensing, yet modeling them is challenging due to their heterogeneity: sequences often contain multiple event types with diverse structures--for example, electronic health records that mix discrete events like medical procedures with continuous lab measurements. Existing approaches either tokenize all entries, violating natural inductive biases, or ignore parts of the data to enforce a consistent structure. In this work, we propose a simple yet powerful Marked Temporal Point Process (MTPP) framework for modeling event sequences with flexible structure, using a single unified model. Our approach employs a single autoregressive transformer with discrete and continuous prediction heads, capable of modeling variable-length, mixed-type event sequences. The continuous head leverages an expressive normalizing flow to model continuous event attributes, avoiding the numerical integration required for inter-event times in most competing methods.
Overleaf Example
Machine unlearning algorithms aim to efficiently remove data from a model without retraining it from scratch, in order to remove corrupted or outdated data or respect a user's "right to be forgotten." Certified machine unlearning is a strong theoretical guarantee based on differential privacy that quantifies the extent to which an algorithm erases data from the model weights. In contrast to existing works in certified unlearning for convex or strongly convex loss functions, or nonconvex objectives with limiting assumptions, we propose the first, first-order, black-box (i.e., can be applied to models pretrained with vanilla gradient descent) algorithm for unlearning on general nonconvex loss functions, which unlearns by "rewinding" to an earlier step during the learning process before performing gradient descent on the loss function of the retained data points. We prove (ϵ,δ) certified unlearning and performance guarantees that establish the privacy-utility-complexity tradeoff of our algorithm, and we prove generalization guarantees for functions that satisfy the Polyak-Lojasiewicz inequality. Finally, we demonstrate the superior performance of our algorithm compared to existing methods, within a new experimental framework that more accurately reflects unlearning user data in practice.