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Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

生物大分子 · 定量生物学 2024-03-05 Jeff Guo , Philippe Schwaller

Activation-based steering enables Large Language Models (LLMs) to exhibit targeted behaviors by intervening on intermediate activations without retraining. Despite its widespread use, the mechanistic factors that govern when steering…

计算与语言 · 计算机科学 2026-03-13 Mehdi Jafari , Hao Xue , Flora Salim

We propose a new approach to solve optimal stopping problems via simulation. Working within the backward dynamic programming/Snell envelope framework, we augment the methodology of Longstaff-Schwartz that focuses on approximating the…

计算金融 · 定量金融 2015-09-04 Robert B. Gramacy , Mike Ludkovski

We present general results on D-optimal designs for estimating the mean response in repeated measures growth curve models with metric outcomes. For this situation, we derive a novel equivalence theorem for checking design optimality. The…

统计理论 · 数学 2023-01-23 Fritjof Freise , Heinz Holling , Rainer Schwabe

Although chain-of-thought (CoT) prompting combined with language models has achieved encouraging results on complex reasoning tasks, the naive greedy decoding used in CoT prompting usually causes the repetitiveness and local optimality. To…

计算与语言 · 计算机科学 2024-05-27 Lei Lin , Jiayi Fu , Pengli Liu , Qingyang Li , Yan Gong , Junchen Wan , Fuzheng Zhang , Zhongyuan Wang , Di Zhang , Kun Gai

Inference-time steering enables pretrained diffusion/flow models to be adapted to new tasks without retraining. A widely used approach is the ratio-of-densities method, which defines a time-indexed target path by reweighting…

人工智能 · 计算机科学 2025-12-12 Ziseok Lee , Minyeong Hwang , Sanghyun Jo , Wooyeol Lee , Jihyung Ko , Young Bin Park , Jae-Mun Choi , Eunho Yang , Kyungsu Kim

Activation steering methods enable inference-time control of large language model (LLM) behavior without retraining, but current approaches face a fundamental trade-off: sample-efficient methods suboptimally capture steering signals from…

机器学习 · 计算机科学 2026-03-09 Kartik Sharma , Rakshit S. Trivedi

Large language models excel on static benchmarks, but their ability as self-learning agents in dynamic environments remains unclear. We evaluate three prompting strategies: self-reflection, heuristic mutation, and planning across dynamic…

人工智能 · 计算机科学 2025-08-12 Annie Wong , Thomas Bäck , Aske Plaat , Niki van Stein , Anna V. Kononova

Large language models (LLMs) excel in natural language generation but often confidently produce incorrect responses, especially in tasks like mathematical reasoning. Chain-of-thought prompting, self-verification, and multi-agent debate are…

计算与语言 · 计算机科学 2026-03-30 Mahmood Hegazy

We investigate the impact of Knightian uncertainty on the optimal timing policy of an ambiguity averse decision maker in the case where the underlying factor dynamics follow a multidimensional Brownian motion and the exercise payoff depends…

概率论 · 数学 2019-07-10 Luis H. R. Alvarez E. , Sören Christensen

Recent unified models integrate multimodal understanding and generation within a single framework. However, an "understanding-generation gap" persists, where models can capture user intent but often fail to translate this semantic knowledge…

计算机视觉与模式识别 · 计算机科学 2026-05-15 Qingyang Liu , Bingjie Gao , Canmiao Fu , Zhipeng Huang , Chen Li , Feng Wang , Shuochen Chang , Shaobo Wang , Yali Wang , Keming Ye , Jiangtong Li , Li Niu

Recent studies increasingly explore Large Language Models (LLMs) as a new paradigm for recommendation systems due to their scalability and world knowledge. However, existing work has three key limitations: (1) most efforts focus on…

Reasoning models produce long traces of intermediate decisions and tool calls, making test-time verification important for ensuring correctness. Existing approaches either verify only the final answer, which misses early errors, or rely on…

We propose a variant of the Rapidly Exploring Random Tree Star (RRT$^{\star}$) algorithm to synthesize trajectories satisfying a given spatio-temporal specification expressed in a fragment of Signal Temporal Logic (STL) for linear systems.…

系统与控制 · 电气工程与系统科学 2025-06-13 Gregorio Marchesini , Siyuan Liu , Lars Lindemann , Dimos V. Dimarogonas

Current research in multimodal models faces a key challenge where enhancing generative capabilities often comes at the expense of understanding, and vice versa. We analyzed this trade-off and identify the primary cause might be the…

计算机视觉与模式识别 · 计算机科学 2026-04-01 Sen Ye , Mengde Xu , Shuyang Gu , Di He , Liwei Wang , Han Hu

Large language model (LLM) scaling inference is key to unlocking greater performance, and leveraging diversity has proven an effective way to enhance it. Motivated by the observed relationship between solution accuracy and meaningful…

机器学习 · 计算机科学 2025-12-22 Tianchun Wang , Zichuan Liu , Yuanzhou Chen , Jonathan Light , Weiyang Liu , Haifeng Chen , Xiang Zhang , Wei Cheng

Large Reasoning Models (LRMs) demonstrate strong performance on complex tasks but often suffer from excessive verbosity, known as "overthinking." Existing solutions via reinforcement learning (RL) typically penalize generated tokens to…

计算与语言 · 计算机科学 2025-12-02 Canhui Wu , Qiong Cao , Chang Li , Zhenfang Wang , Chao Xue , Yuwei Fan , Wei Xi , Xiaodong He

Large language models (LLMs) demonstrate strong chain-of-thought (CoT) reasoning abilities, while smaller models (<= 3B parameters) significantly underperform on multi-step reasoning tasks. Based on empirical analyses of the Qwen-2.5 model…

人工智能 · 计算机科学 2026-05-29 Yang Ouyang , Shuhang Lin , Jung-Eun Kim

Steering a language model - intervening on its internal activations to change downstream behaviour - has recently expanded beyond linear interpolation to nonlinear methods such as angular and kernelized steering, which define intervention…

This paper presents a continuous-time optimal control framework for the generation of reference trajectories in driving scenarios with uncertainty. A previous work presented a discrete-time stochastic generator for autonomous vehicles;…

最优化与控制 · 数学 2026-03-17 Ange Valli , Shangyuan Zhang , Abdel Lisser