Related papers: Purely Agent-Driven Black-Box Optimization for Bio…

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

We present a novel approach for attacking black-box large language models (LLMs) by exploiting their ability to express confidence in natural language. Existing black-box attacks require either access to continuous model outputs like logits…

Multi-agent AI systems powered by large language models (LLMs) are increasingly applied to solve complex tasks. However, these systems often rely on fragile, manually designed prompts and heuristics, making optimization difficult. A key…

Large reasoning models have achieved remarkable performance through extended chain-of-thought sequences, yet this computational freedom leads to excessive token generation even for simple problems. We present Length-Adaptive Policy…

Autonomous Graphical User Interface (GUI) agents powered by Multimodal Large Language Models (MLLMs) enable digital automation on end-user devices. While scaling both parameters and data has yielded substantial gains, advanced methods still…

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations;…

Large language models (LLMs) have achieved great success across diverse tasks, and fine-tuning is sometimes needed to further enhance generation quality. Most existing methods rely on human supervision or parameter retraining, both of which…

There is a lot of interest today in building autonomous (or, self-driving) data processing systems. An emerging school of thought is to leverage AI-driven "black box" algorithms for this purpose. In this paper, we present a contrarian view.…

The development of very large-scale integration (VLSI) technology has posed new challenges for electronic design automation (EDA) techniques in chip floorplanning. During this process, macro placement is an important subproblem, which tries…

When gradient-based methods are impractical, black-box optimization (BBO) provides a valuable alternative. However, BBO often struggles with high-dimensional problems and limited trial budgets. In this work, we propose a novel approach…

Parameterizing high-fidelity "digital twins" of batteries is a critical yet challenging inverse problem that hinders the pace of battery innovation. Prevailing methods formulate this as a black-box optimization (BBO) task, employing…

Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming…

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Recent advances in large language models (LLMs) have greatly improved their reasoning and decision-making abilities when deployed as agents. Richer reasoning, however, often comes at the cost of longer chain of thought (CoT), hampering…

Recent advancements in Multimodal Large Language Models (MLLMs) have incentivized models to ``think with images'' by actively invoking visual tools during multi-turn reasoning. The common Reinforcement Learning (RL) practice of relying on…

Real-world domain experts (e.g., doctors) rarely annotate only a decision label in their day-to-day workflow without providing explanations. Yet, existing low-resource learning techniques, such as Active Learning (AL), that aim to support…

Quantum annealing offers a promising paradigm for solving NP-hard combinatorial optimization problems, but its practical application is severely hindered by two challenges: the complex, manual process of translating problem descriptions…

Large language models (LLMs) and emerging agentic frameworks are beginning to transform single-cell biology by enabling natural-language reasoning, generative annotation, and multimodal data integration. However, progress remains fragmented…

Optimizing the structure of molecules to achieve desired properties is a central bottleneck across the chemical sciences, particularly in the pharmaceutical industry where it underlies the discovery of new drugs. Since molecular property…

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug…