Research papers
6,628 papers · ICML 2026 to start, more venues coming
DEPT: Large Language Model–Driven Automated Algorithm Design via Evolutionary Program Trees
ICML 2026Bin Chen, Shouliang Zhu, Beidan Liu, Yong Zhao +3 more
Designing heuristics for combinatorial optimization problems (COPs) is a fundamental yet challenging task that traditionally requires extensive domain expertise. Recently, Large Language Model (LLM)-based Automated Heuristic Design (AHD) has shown promise in autonomously generating heuristic components with minimal hum…
-Reader: Dual Evolving Graphs for Multimodal Document QA
ICML 2026Yaxin Du, Junru Song, Yifan Zhou, Cheng Wang +7 more
Retrieval-augmented generation is a practical paradigm for question answering over long documents, but it remains brittle for multimodal reading where text, tables, and figures are interleaved across many pages. First, flat chunking breaks document-native structure and cross-modal alignment, yielding semantic fragments…
: Large Lookup Layers
ICML 2026Albert Tseng, Chris De Sa
Modern sparse language models typically achieve sparsity through Mixture-of-Experts (MoE) layers, which dynamically route tokens to dense MLP "experts." However, dynamic hard routing has a number of drawbacks, such as potentially poor hardware efficiency and needing auxiliary losses for stable training. In contrast, t…
DAO: Reactive Recovery and Reconstruction for Long-horizon Data Agent Orchestration
ICML 2026Quanxin Liu, Rui Hao, Ruida Xu, Jianwei Zhong +2 more
End-to-end data science agent workflows involve tightly coupled sub-processes with strong dynamic dependencies, posing a challenging long-horizon orchestration problem. Existing frameworks primarily rely on static, chain-like execution plans, which are prone to error propagation from early stages—often causing reasonin…
: A Generalist Value Model for Any Policy at State Zero
ICML 2026Yi-Kai Zhang, Zhiyuan Yao, Hongyan Hao, Yueqing Sun +5 more
Policy gradient methods rely on a baseline to measure the relative advantage of an action. In Actor-Critic LLM training (e.g., PPO), this baseline is typically estimated by a Value Model as large as the policy. However, as the policy evolves, the value model requires expensive, synchronous training. To avoid t…
-PFN: Fast Entropy Search via In-Context Learning
ICML 2026Herilalaina Rakotoarison, Steven Adriaensen, Tom Viering, Carl Hvarfner +3 more
Information-theoretic acquisition functions such as Entropy Search (ES) offer a principled exploration–exploitation framework for Bayesian optimization (BO). However, their practical implementation relies on complicated and slow approximations, i.e., a Monte Carlo estimation of the information gain. This complexity can…
is Theoretically Large Enough for Embedding-based Top- Retrieval
ICML 2026Zihao Wang, Hang Yin, Lihui Liu, Hanghang Tong +3 more
This paper studies the Minimal Embeddable Dimension (MED): the least dimension in which there exists a configuration of object vectors so that every subset of size at most is exactly retrieved by score comparison. Our result shows MED is , independent of , for inner product, Euclidean distance, an…
Latent Dimension Suffices for Universal Approximation of Permutation-invariant Function
ICML 2026Min ZHOU, Enming Liang, Minghua Chen
Learning permutation-invariant functions over sets of elements, where the output is independent of the input ordering, is fundamental to many deep learning applications. While sum-decomposable architectures like DeepSets offer universal approximation for such functions, existing constructive bounds require a latent…
pscaling small models: Principled warm starts and hyperparameter transfer
ICML 2026Yuxin Ma, Nan Chen, Mateo D Diaz, Soufiane Hayou +2 more
Modern large-scale neural networks are often trained and released in multiple sizes to accommodate diverse inference budgets. To improve efficiency, recent work has explored *model upscaling*: initializing larger models from trained smaller ones to accelerate convergence. However, this method can be sensitive to hyperp…
-Balancing for Mixture-of-Experts Training
ICML 2026Lizhang Chen, Jonathan Li, Qi Wang, Runlong Liao +4 more
Mixture-of-Experts (MoE) models rely on balanced expert utilization to fully realize their scalability. However, existing load-balancing methods are largely heuristic and operate on noisy mini-batch assignment statistics, introducing bias relative to population-level objectives. We propose **-balancing**, a princ…
: Sigmoid Modulation for Ultra High Resolution Diffusion
ICML 2026Bingxuan Zhao, Qing Zhou, Yu Wang, Chuang Yang +1 more
Diffusion Transformers (DiTs) can synthesize high-fidelity images, but training at ultra-high resolutions is expensive, making inference-time extrapolation essential. Existing methods are typically scale-agnostic, applying the same positional-modulation schedule regardless of target resolution. We show that th…
-Knowledge: Evaluating Conversational Agents over Unstructured Knowledge
ICML 2026Quan Shi, Alexandra Zytek, Pedram Razavi, Karthik Narasimhan +1 more
Conversational agents are increasingly deployed in knowledge-intensive settings, where correct behavior depends on retrieving and applying domain-specific knowledge from large, proprietary, and unstructured corpora during live interactions with users. Yet most existing benchmarks evaluate retrieval or tool use independ…
-Voice: Benchmarking Full-Duplex Voice Agents on Real-World Domains
ICML 2026Soham Ray, Keshav Dhandhania, Victor Barres, Karthik Narasimhan
Full-duplex voice agents—systems that listen and speak simultaneously—are rapidly moving from research to production. However, existing evaluations address conversational dynamics and task completion in isolation. We introduce τ-Voice, a benchmark for evaluating voice agents on grounded tasks with real-world complexity…
-Bench: Evaluating Conversational Agents in a Dual-Control Environment
ICML 2026Victor Barres, Honghua Dong, Soham Ray, Xujie Si +1 more
Existing benchmarks for conversational AI agents simulate *single-control* environments, where only the AI agent can use tools to interact with the world, while the user remains a passive information provider. This differs from real-world scenarios like technical support, where users need to actively participate in mod…
-SPPO: Semantic-Calibrated Self-Play Preference Optimization
ICML 2026Xiwen Chen, Wenhui Zhu, Jingjing Wang, Peijie Qiu +12 more
Aligning Large Language Models (LLMs) with human preferences is often formulated via Direct Preference Optimization (DPO). However, the standard Bradley-Terry instantiation of DPO is limited in modeling common departures from transitivity in human preferences. To address this, recent work has introduced Self-Play Prefe…
: Fully Homomorphic AIM for Private Tabular Synthetic Data Generation
ICML 2026Mayank Kumar, Qian Lou, Paulo Barreto, Martine De Cock +1 more
Data is the lifeblood of AI, yet much of the most valuable data remains locked in silos due to privacy and regulations. As a result, AI remains heavily underutilized in many of the most important domains, including healthcare, education, and finance. Synthetic data generation (SDG), i.e. the generation of artificial da…
: Fast and Accurate Coarse-Grained Neural Network Molecular Dynamics
ICML 2026Pingzhi Li, Hongxuan Li, Zirui Liu, Xingcheng Lin +1 more
Graph neural network (GNN) potentials such as SchNet improve the accuracy and transferability of molecular dynamics (MD) simulation by learning many-body interactions, but remain slower than classical force fields due to fragmented kernels and memory-bound pipelines that underutilize GPUs. We show that a missing pr…
: Unlocking the Performance Ceiling for Pretrained Optimizers
ICML 2026Muqi Han, Ruoqi Xing, KAI WU, Xiaoyu Zhang +2 more
Meta Black-Box Optimization (MetaBBO) has emerged as a promising paradigm by employing meta learning to automatically optimize the configurations of low-level black-box optimizers. Despite its potential, the generalization of MetaBBO remains significantly constrained when facing unseen, complex objective landscapes. We…
: Hierarchical Multi-Agent Decision-Making with LLM-Based Agents in Interactive Environments
ICML 2026Sangeun Park, Minhae Kwon
A central goal of large language model (LLM) research is to build agentic systems that can plan, act, and adapt through sustained interaction with dynamic environments. While recent LLM-based agents exhibit impressive contextual reasoning, their long-horizon decision-making remains fragile, often suffering from $\texti…
:A 3D Probabilistic Neural Representation for Interpretable Shape Modeling
ICML 2026Yining Jiao, Shankar Bhamidi, Carlton ZDANSKI, Julia Kimbell +8 more
Understanding how anatomical shapes evolve in response to developmental covariates—and quantifying their spatially varying uncertainties—is critical in healthcare research. Existing approaches typically rely on global time-warping formulations that ignore spatially heterogeneous dynamics. We introduce PRISM, a…