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Social Aspects · Trustworthy Machine Learning

Yisheng Zhong, Zhengbang Yang, Zhuangdi Zhu

LLM unlearning is a technique to remove the impacts of undesirable knowledge from the model without retraining from scratch, which is indispensable towards trustworthy AI. Existing unlearning methods face significant limitations: conventional tuning-based unlearning is computationally heavy and prone to catastrophic forgetting. In contrast, in-contextualized unlearning is lightweight for precise unlearning but vulnerable to prompt removal or reverse engineering attacks. In response, we propose Distilled Unlearning from an Efficient Teacher (DUET), a novel distillation-based unlearning method that combines the merits of these two lines of work. It learns a student model to imitate the behavior of a prompt-steered teacher that effectively refuses undesirable knowledge generation while preserving general domain knowledge. Extensive evaluations on existing benchmarks with our enriched evaluation protocols demonstrated that DUET achieves significantly higher performance in both forgetting and utility preservation, while being orders of magnitude more data-efficient than state-of-the-art unlearning methods.

Applications · Everything Else

Patrick Tser Jern Kon, Qiuyi Ding, Jiachen Liu, Xinyi Zhu, Jingjia Peng, Jiarong Xing, Yibo Huang, Yiming Qiu, Jayanth Srinivasa, Myungjin Lee 等

Automating AI research holds immense potential for accelerating scientific progress, yet current AI agents struggle with the complexities of rigorous, end-to-end experimentation. We introduce EXP-Bench, a novel benchmark designed to systematically evaluate AI agents on complete research experiments sourced from influential AI publications. Given a research question and incomplete starter code, EXP-Bench challenges AI agents to formulate hypotheses, design and implement experimental procedures, execute them, and analyze results. To enable the creation of such intricate and authentic tasks with high-fidelity, we design a semi-autonomous pipeline to extract and structure crucial experimental details from these research papers and their associated open-source code. With the pipeline, EXP-Bench curated 461 AI research tasks from 51 top-tier AI research papers. Evaluations of leading AI agents, such as OpenHands and IterativeAgent on EXP-Bench demonstrate partial capabilities: while scores on individual experimental aspects such as design or implementation correctness reach 20-35%, the success rate for complete, executable experiments was a mere 0.5%. By identifying these bottlenecks and providing realistic step-by-step experiment procedures, EXP-Bench serves as a vital tool for future AI agents to improve their ability to conduct AI research experiments.

Theory · Optimization

Sammy Khalife, Andrea Lodi

In the recent years, branch-and-cut algorithms have been the target of data-driven approaches designed to enhance the decision making in different phases of the algorithm such as branching, or the choice of cutting planes (cuts). In particular, for cutting plane selection two score functions have been proposed in the literature to evaluate the quality of a cut: branch-and-cut tree size and gap closed. In this paper, we present new sample complexity lower bounds, valid for both scores. We show that for a wide family of classes $\mathcal{F}$ that maps an instance to a cut, learning over an unknown distribution of the instances to minimize those scores requires at least (up to multiplicative constants) as many samples as learning from the same class function $\mathcal{F}$ any generic target function (using square loss). Our results also extend to the case of learning from a restricted set of cuts, namely those from the Simplex tableau. To the best of our knowledge, these constitute the first lower bounds for the learning-to-cut framework. We compare our bounds to known upper bounds in the case of neural networks and show they are nearly tight, suggesting that both scores (gap closed and tree size) are of comparable difficulty from a learning standpoint. Guided by this insight, we provide empirical evidence -- by using a graph neural network cut selection evaluated on various integer programming problems -- that gap closed is a practical and effective proxy for minimizing the tree size. Although the gap closed score has been extensively used in the integer programming literature, this is the first principled analysis discussing both scores simultaneously both theoretically and computationally.

General Machine Learning · Representation Learning

Kosio Beshkov, Anders Malthe-Sorenssen

While protein language models (PLMs) are one of the most promising avenues of research for future de novo protein design, the way in which they transform sequences to hidden representations, as well as the information encoded in such representations is yet to be fully understood. Several works have attempted to propose interpretability tools for PLMs, but they have focused on understanding how individual sequences are transformed by such models. Therefore, the way in which PLMs transform the whole space of sequences along with their relations is still unknown. In this work we attempt to understand this transformed space of sequences by identifying protein structure and representation with square-root velocity (SRV) representations and graph filtrations. Both approaches naturally lead to a metric space in which pairs of proteins or protein representations can be compared with each other. We analyze different types of proteins from the SCOP dataset and show that the Fréchet radius and effective dimension of the SRV shape space follows a non-linear pattern as a function of the layers in ESM2 models of different sizes. Furthermore, we use graph filtrations as a tool to study the context lengths at which models encode the structural features of proteins. We find that PLMs preferentially encode immediate as well as local relations between amino acids, but start to degrade for larger context lengths. The most structurally faithful encoding tends to occur close to, but before the last layer of the models, indicating that training a folding model ontop of these layers might lead to improved folding performance.

Computer Vision · Vision Models & Multimodal

Chengxuan Qian, Shuo Xing, Li Li, Yue Zhao, Zhengzhong Tu

Multimodal representation learning aims to capture both shared and complementary semantic information across multiple modalities. However, the intrinsic heterogeneity of diverse modalities presents substantial challenges to achieve effective cross-modal collaboration and integration. To address this, we introduce DecAlign, a novel hierarchical cross-modal alignment framework designed to decouple multimodal representations into modality-unique (heterogeneous) and modality-common (homogeneous) features. For handling heterogeneity, we employ a prototype-guided optimal transport alignment strategy leveraging gaussian mixture modeling and multi-marginal transport plans, thus mitigating distribution discrepancies while preserving modality-unique characteristics. To reinforce homogeneity, we ensure semantic consistency across modalities by aligning latent distribution matching with Maximum Mean Discrepancy regularization. Furthermore, we incorporate a multimodal transformer to enhance high-level semantic feature fusion, thereby further reducing cross-modal inconsistencies. Our extensive experiments on four widely used multimodal benchmarks demonstrate that DecAlign consistently outperforms existing state-of-the-art methods across five metrics. These results highlight the efficacy of DecAlign in enhancing superior cross-modal alignment and semantic consistency while preserving modality-unique features, marking a significant advancement in multimodal representation learning scenarios.

Computer Vision · Image and Video Generation

Wootaek Jeong, Junghyo Sohn, Jee Seok Yoon, Heung-Il Suk

Text-guided image editing requires more than prompt following—it demands a principled understanding of what to modify versus what to preserve. We investigate the internal guidance mechanism of diffusion models and reveal that the guidance signal follows a structured semantic hierarchy. We formalize this insight as the Semantic Scale Hypothesis: the magnitude of the guidance difference vector ($\Delta\boldsymbol{\epsilon}$) directly encodes the semantic scale of edits. Crucially, this phenomenon is theoretically grounded in Tweedie’s formula, which links score prediction to the variance of the underlying data distribution. Low-variance regions, such as objects, yield large-magnitude differences corresponding to structural edits, whereas high-variance regions, such as backgrounds, yield small-magnitude differences corresponding to stylistic adjustments. Building on this principle, we introduce Prism-Edit, a training-free, plug-and-play module that decomposes the guidance signal into semantic layers, enabling selective and interpretable control. Extensive experiments—spanning direct visualization of the semantic hierarchy, generalization across foundation models, and integration with state-of-the-art editors—demonstrate that Prism-Edit achieves precise, robust, and controllable editing. Our findings establish semantic scale as a foundational axis for understanding and advancing diffusion-based image editing.

General Machine Learning · Everything Else

Nina Mishra, Yonatan Naamad, Tal Wagner, Lichen Zhang

Approximate nearest neighbor search (ANN) is a common way to retrieve relevant search results, especially now in the context of large language models and retrieval augmented generation. One of the most widely used algorithms for ANN is based on constructing a multi-layer graph over the dataset, called the Hierarchical Navigable Small World (HNSW). While this algorithm supports insertion of new data, it does not support deletion of existing data. Moreover, deletion algorithms described by prior work come at the cost of increased query latency, decreased recall, or prolonged deletion time. In this paper, we propose a new theoretical framework for graph-based ANN based on random walks. We then utilize this framework to analyze a randomized deletion approach that preserves hitting time statistics compared to the graph before deleting the point. We then turn this theoretical framework into a \emph{deterministic} deletion algorithm, and show that it provides better tradeoff between query latency, recall, deletion time, and memory usage through an extensive collection of experiments.

Social Aspects · Trustworthy Machine Learning

(Andrew) Zhanke Zhou, Zhaocheng Zhu, Xuan Li, Mikhail Galkin, Xiao Feng, Sanmi Koyejo, Jian Tang, Bo Han

Numerous applications of large language models (LLMs) rely on their ability to perform step-by-step reasoning. However, the reasoning behavior of LLMs remains poorly understood, posing challenges to research, development, and safety. To address this gap, we introduce landscape of thoughts (LoT), the first landscape visualization tool to inspect the reasoning trajectories with certain reasoning methods on any multi-choice dataset. We represent the textual states in a trajectory as numerical features that quantify the states' distances to the answer choices. These features are then visualized in two-dimensional plots using t-SNE. Qualitative and quantitative analysis with the landscape of thoughts effectively distinguishes between strong and weak models, correct and incorrect answers, as well as different reasoning tasks. It also uncovers undesirable reasoning patterns, such as low consistency and high uncertainty. Additionally, users can adapt LoT to a model that predicts the property they observe. We showcase this advantage by adapting LoT to a lightweight verifier that evaluates the correctness of trajectories. Empirically, this verifier boosts the reasoning accuracy and the test-time scaling effect. The code is publicly available at: https://github.com/tmlr-group/landscape-of-thoughts.

Deep Learning · Graph Neural Networks

Xingyue Huang, Mikhail Galkin, Michael Bronstein, Ismail I Ceylan

Inductive link prediction with knowledge hypergraphs is the task of predicting missing hyperedges involving completely *novel entities* (i.e., nodes unseen during training). Existing methods for inductive link prediction with knowledge hypergraphs assume a fixed relational vocabulary and, as a result, cannot generalize to knowledge hypergraphs with *novel relation types* (i.e., relations unseen during training). Inspired by knowledge graph foundation models, we propose HYPER as a foundation model for link prediction, which can generalize to *any knowledge hypergraph*, including novel entities and novel relations. Importantly, HYPER can learn and transfer across different relation types of *varying arities*, by encoding the entities of each hyperedge along with their respective positions in the hyperedge. To evaluate HYPER, we construct 16 new inductive datasets from existing knowledge hypergraphs, covering a diverse range of relation types of varying arities. Empirically, HYPER consistently outperforms all existing methods in both node-only and node-and-relation inductive settings, showing strong generalization to unseen, higher-arity relational structures.

Social Aspects · Everything Else

Michael Aerni, Joshua Swanson, Kristina Nikolić, Florian Tramer

We present *modal aphasia*, a systematic dissociation in which current unified multimodal models accurately memorize concepts visually but fail to articulate them in writing, despite being trained on images and text simultaneously. For one, we show that leading frontier models can generate near-perfect reproductions of iconic movie artwork, but confuse crucial details when asked for textual descriptions. We corroborate those findings through controlled experiments on synthetic datasets in multiple architectures. Our experiments confirm that modal aphasia reliably emerges as a fundamental property of current unified multimodal models, not just as a training artifact. In practice, modal aphasia can introduce vulnerabilities in AI safety frameworks, as safeguards applied to one modality may leave harmful concepts accessible in other modalities. We demonstrate this risk by showing how a model aligned solely on text remains capable of generating unsafe images.

Theory · Learning Theory

Sujoy Bhore, Liana Khazaliya, Fionn Mc Inerney

Kirkpatrick et al. [ALT 2019] and Fallat et al. [JMLR 2023] introduced non-clashing teaching and proved that it is the most efficient batch machine teaching model satisfying the collusion-avoidance benchmark established in the seminal work of Goldman and Mathias [COLT 1993]. Recently, (positive) non-clashing teaching was thoroughly studied for balls in graphs, yielding numerous algorithmic and combinatorial results. In particular, Chalopin et al. [COLT 2024] and Ganian et al. [ICLR 2025] gave an almost complete picture of the complexity landscape of the positive variant, showing that it is tractable only for restricted graph classes due to the non-trivial nature of the problem and concept class. In this work, we consider (positive) non-clashing teaching for closed neighborhoods in graphs. This concept class is not only extensively studied in various related contexts, but it also exhibits broad generality, as any finite binary concept class can be equivalently represented by a set of closed neighborhoods in a graph. In comparison to the works on balls in graphs, we provide improved algorithmic results, notably including FPT algorithms for more general classes of parameters, and we complement these results by deriving stronger lower bounds. Lastly, we obtain combinatorial upper bounds for wider classes of graphs.

Reinforcement Learning · Multi-agent

Iris Xu, Guangtao Zeng, Zexue He, Charles Jin, Aldo Pareja, Dan Gutfreund, Chuang Gan, Zhang-Wei Hong

Large language models (LLMs) have shown strong reasoning and coding capabilities, yet they struggle to generalize to real-world software engineering (SWE) problems that are long-horizon and out-of-distribution. Existing systems often rely on a single agent to handle the entire workflow—interpreting issues, navigating large codebases, and implementing fixes—within one reasoning chain. Such monolithic designs force the model to retain irrelevant context, leading to spurious correlations and poor generalization. Motivated by how human engineers decompose complex problems, we propose structuring SWE agents as orchestrators coordinating specialized sub-agents for sub-tasks such as localization, editing, and validation. The challenge lies in discovering effective hierarchies automatically: as the number of sub-agents grows, the search space becomes combinatorial, and it is difficult to attribute credit to individual sub-agents within a team. We address these challenges by formulating hierarchy discovery as a multi-armed bandit (MAB) problem, where each arm represents a candidate sub-agent and the reward measures its helpfulness when collaborating with others. This framework, termed Bandit Optimization for Agent Design (BOAD), enables efficient exploration of sub-agent designs under limited evaluation budgets. On SWE-bench-Verified, BOAD outperforms single-agent and manually designed multi-agent systems. On SWE-bench-Live, featuring more recent and out-of-distribution issues, our 36B system ranks second on the leaderboard at the time of evaluation, surpassing larger models such as GPT-4 and Claude. These results demonstrate that automatically discovered hierarchical multi-agent systems significantly improve generalization on challenging long-horizon SWE tasks. Code is available at https://github.com/iamxjy/BOAD-SWE-Agent.

Deep Learning · Generative Models and Autoencoders

Chengyin Xu, Kaiyuan Chen, Xiao Li, Ke Shen, Chenggang Li

The escalating scale and cost of Large Language Models (LLMs) training necessitate accurate pre-training prediction of downstream task performance for comprehensive understanding of scaling properties. This is challenged by: 1) the emergence phenomenon, where unpredictable capabilities appearing suddenly at critical model scales; and 2) uneven task difficulty and inconsistent performance scaling patterns, leading to high metric variability. Current prediction methods lack accuracy and reliability. We propose a Clustering-On-Difficulty (COD) framework for downstream performance prediction. The COD framework clusters tasks by their difficulty scaling features, thereby constructing a more stable and predictable task subset that exhibits well-behaved scaling characteristics with the increase of compute budget. We adopt a performance scaling law to predict cluster-wise performance with theoretical support. Predictable subset performance acts as an intermediate predictor for the full evaluation set. We further derive a mapping function to accurately extrapolate the performance of the subset to the full set. Applied to an LLM with 70B parameters, COD achieved a 1.55\% average prediction error across eight key LLM benchmarks, thus providing actionable insights for scaling properties and training monitoring during LLM pre-training.

Applications · Everything Else

Haochen Luo, HoTin Ko, Jiandong Chen, David Sun, Yuan Zhang, Chen Liu

Formulaic alpha factor mining (FAFM) is a central problem in quantitative investment, where interpretable formulas are designed to extract predictive signals from historical financial series. With the emergence of large language models (LLMs), recent studies have begun to explore their roles in FAFM, yet their capabilities across different tasks and configurations remain unclear. In this work, we introduce AlphaBench, the first systematic benchmark for evaluating LLMs in FAFM. AlphaBench covers three core tasks, including factor generation, factor evaluation, and factor searching, which are all popular tasks integrated in the workflow of quantitative researchers. Beyond task-level evaluation, we further analyze how different LLM settings, including model type, prompting paradigm, and reasoning strategy, influence performance. Our experiments on a range of open-source and closed-source models reveal that LLMs hold strong potential in automating factor mining, while also facing persistent challenges in robustness, search efficiency, and practical usability. The project is available at: https://alphabench.cc/

Theory · Learning Theory

Rahul Raychaudhury, Aryan Esmailpour, sainyam galhotra, Stavros Sintos

Clustering is a fundamental primitive in unsupervised learning. However, classical algorithms for $k$-clustering (such as $k$-median and $k$-means) assume access to exact pairwise distances, which is an unrealistic requirement in many modern applications. We study clustering in the \emph{Rank-model (R-model)}, where access to distances is entirely replaced by a \emph{quadruplet oracle} that provides only relative distance comparisons. In practice, such an oracle can represent learned models or human feedback, and is expected to be noisy and entail an access cost. Given a metric space with $n$ input items, we design randomized algorithms that, using only a noisy quadruplet oracle, compute a set of $O(k \cdot \mathsf{polylog}(n))$ centers along with a mapping from the input items to the centers such that the clustering cost of the mapping is at most constant times the optimum $k$-clustering cost. Our method achieves a query complexity of $O(n\cdot k \cdot \mathsf{polylog}(n))$ for arbitrary metric spaces and improves to $O((n+k^2) \cdot \mathsf{polylog}(n))$ when the underlying metric has bounded doubling dimension. When the metric has bounded doubling dimension we can further improve the approximation from constant to $1+\varepsilon$, for any arbitrarily small constant $\varepsilon\in(0,1)$, while preserving the same asymptotic query complexity. Our framework demonstrates how noisy, low-cost oracles, such as those derived from large language models, can be systematically integrated into scalable clustering algorithms.

Computer Vision · Vision Models & Multimodal

Yuheng Shi, Xiaohuan Pei, Minjing Dong, Chang Xu

Multimodal Large Language Models (MLLMs) require high-resolution visual information to perform fine-grained perception, yet processing entire high-resolution images is computationally prohibitive. While recent methods leverage a Region-of-Interest (RoI) mechanism to focus on salient areas, they typically present a difficult trade-off: training-based approaches depend on large-scale annotated datasets, while training-free methods that utilize the model's internal attention are computationally inefficient and less accurate, requiring either multi-pass prefill stages or reliance on the slow auto-regressive decoding process. In this paper, we propose an efficient, annotation-free Self-Distilled Region Proposal Network (SD-RPN) that resolves this trade-off. The SD-RPN is built around a pipeline that transforms the noisy attention maps from the MLLM's middle layers into high-quality pseudo-RoI labels by explicitly denoising the signal and resolving ambiguity. We use these labels to train a lightweight Region Proposal Network (RPN) that learns a more precise localization. This RPN is also highly efficient, predicting the RoI in a single forward pass using features from the MLLM's middle layers, decoupling RoI identification from the auto-regressive generation and avoiding costly multi-pass operations. To validate our approach, we integrate the framework into the LLaVA-1.5 architecture. Despite being trained on only a few (e.g. 10K) question-answer pairs, our method demonstrates exceptional data efficiency and generalization, achieving over a 10\% absolute accuracy improvement on unseen benchmarks, including TextVQA, DocVQA, and V-Star. Our work presents a practical and scalable solution for enhancing the fine-grained perception of MLLMs without requiring costly supervision or full model fine-tuning. Code is available at https://github.com/YuHengsss/SD-RPN .

Reinforcement Learning · Multi-agent

Xinlei Yu, Chengming Xu, Guibin Zhang, Yongbo He, Zhangquan Chen, Zhucun Xue, Jiangning Zhang, Yue Liao, Xiaobin Hu, Yu-Gang Jiang 等

Multi-Agent System (MAS) powered by Visual Language Models (VLMs) enables challenging tasks but suffers from a novel failure term, multi-agent visual hallucination snowballing, where hallucinations are seeded in a single agent and amplified by following ones due to the over-reliance on textual flow to relay visual information. Through turn-, layer-, and token-wise attention analyses, we provide detailed insights into the essence of hallucination snowballing regarding the reduction of visual attention allocation. It leads us to identify a subset of vision tokens with a unimodal attention peak in middle layers that best preserve visual evidence but gradually diminish in deeper agent turns, resulting in the visual hallucination snowballing in MAS. Thus, we propose ViF, a lightweight, model-agnostic mitigation paradigm that relays inter-agent messages with Visual Flow powered by the selected visual relay tokens and applies attention reallocation to amplify this pattern. The experiment results demonstrate that our method markedly reduces hallucination snowballing, consistently improving the performance across eight benchmarks based on four common MAS structures and ten base models. The source code is publicly available at: https://github.com/YU-deep/ViF.git.

Deep Learning · Graph Neural Networks

Samyak Jain, Ronak Kalvani, sainyam galhotra, Sayan Ranu

Graph Neural Networks (\textsc{Gnn}s) are increasingly being deployed in sensitive, user-centric applications where regulations such as the GDPR mandate the ability to remove data upon request. This has spurred interest in graph unlearning, the task of removing the influence of specific training data from a trained \textsc{Gnn} without retraining from scratch. While several unlearning techniques have recently emerged, the field lacks a principled benchmark to assess whether these methods truly provide a practical alternative to retraining and, if so, how to choose among them for different workloads. In this work, we present the first systematic benchmark for \textsc{Gnn} unlearning, structured around three core desiderata: \emph{efficiency} (is unlearning faster than retraining?), \emph{utility} (does the unlearned model preserve predictive performance and align with the retrained gold standard?), and \emph{forgetting} (does the model genuinely eliminate the influence of removed data?). Through extensive experiments across diverse datasets and deletion scenarios, we deliver a unified assessment of existing approaches, surfacing their trade-offs and limitations. Crucially, our findings show that most unlearning techniques are not yet practical for large-scale graphs. At the same time, our benchmarking yields actionable guidelines on when unlearning can be a viable alternative to retraining and how to select among methods for different workloads, thereby charting a path for future research toward more practical, scalable, and trustworthy graph unlearning.

Xiaohuan Pei, Tao Huang, Yanxiang Ma, Chang Xu

Causal attention has become a foundational mechanism in autoregressive Vision-Language models (VLMs), unifying textual and visual inputs under a single generative framework. However, existing causal mask-based strategies are inherited from large language models (LLMs) where they are tailored for text-only decoding, and their adaptation to vision tokens is insufficiently addressed in the prefill stage. Strictly masking future positions for vision queries introduces overly rigid constraints, which hinder the model’s ability to leverage future context that often contains essential semantic cues for accurate inference. In this work, we empirically investigate how different causal masking strategies affect vision-language inference and then propose a family of future-aware attentions tailored for this setting. We first empirically analyze the effect of previewing future tokens for vision queries and demonstrate that rigid masking undermines the model’s capacity to capture useful contextual semantic representations. Based on these findings, we propose a lightweight attention family that aggregates future visual context into past representations via pooling, effectively preserving the autoregressive structure while enhancing cross-token dependencies. We evaluate a range of causal masks across diverse vision-language inference settings and show that selectively compressing future semantic context into past representations benefits the inference.

Social Aspects · Accountability, Transparency and Interpretability

Eric Enouen, sainyam galhotra

Concept Bottleneck Models (CBMs) use a set of human-interpretable concepts to predict the final task label, enabling domain experts to not only validate the CBM's predictions, but also intervene on incorrect concepts at test time. However, these interventions fail to address systemic misalignment between the CBM and the expert's reasoning, such as when the model learns shortcuts from biased data. To address this, we present a general interpretable debugging framework for CBMs that follows a two-step process of *Removal* and *Retraining*. In the *Removal* step, experts use concept explanations to identify and remove any undesired concepts. In the *Retraining* step, we introduce **CBDebug**, a novel method that leverages the interpretability of CBMs as a bridge for converting concept-level user feedback into sample-level auxiliary labels. These labels are then used to apply supervised bias mitigation and targeted augmentation, reducing the model’s reliance on undesired concepts. We evaluate our framework with both real and automated expert feedback, and find that **CBDebug** significantly outperforms prior retraining methods across multiple CBM architectures (PIP-Net, Post-hoc CBM) and benchmarks with known spurious correlations.