Scientific discovery increasingly relies on AI systems to select candidates for expensive experimental validation, yet no principled, budget-aware evaluation framework exists for comparing selection strategies -- a gap intensified by large language models (LLMs), which generate plausible scientific proposals without reliable downstream evaluation. We introduce the Budget-Sensitive Discovery Score (BSDS), a formally verified metric -- 20 theorems machine-checked by the Lean 4 proof assistant -- that jointly penalizes false discoveries (lambda-weighted FDR) and excessive abstention (gamma-weighted coverage gap) at each budget level. Its budget-averaged form, the Discovery Quality Score (DQS), provides a single summary statistic that no proposer can inflate by performing well at a cherry-picked budget. As a case study, we apply BSDS/DQS to: do LLMs add marginal value to an existing ML pipeline for drug discovery candidate selection? We evaluate 39 proposers -- 11 mechanistic variants, 14 zero-shot LLM configurations, and 14 few-shot LLM configurations -- using SMILES representations on MoleculeNet HIV (41,127 compounds, 3.5% active, 1,000 bootstrap replicates) under both random and scaffold splits. Three findings emerge. First, the simple RF-based Greedy-ML proposer achieves the best DQS (-0.046), outperforming all MLP variants and LLM configurations. Second, no LLM surpasses the Greedy-ML baseline under zero-shot or few-shot evaluation on HIV or Tox21, establishing that LLMs provide no marginal value over an existing trained classifier. Third, the proposer hierarchy generalizes across five MoleculeNet benchmarks spanning 0.18%-46.2% prevalence, a non-drug AV safety domain, and a 9x7 grid of penalty parameters (tau >= 0.636, mean tau = 0.863). The framework applies to any setting where candidates are selected under budget constraints and asymmetric error costs.

We introduce the novel EAI framework for integrating emotion modeling into LLMs to examine the emotional impact on ethics and LLM-based decision-making in various strategic games, including bargaining and repeated games. Our experimental study with various LLMs demonstrated that emotions can significantly alter the ethical decision-making landscape of LLMs, highlighting the need for robust mechanisms to ensure consistent ethical standards. Our game-theoretic analysis revealed that LLMs are susceptible to emotional biases influenced by model size, alignment strategies, and primary pretraining language. Notably, these biases often diverge from typical human emotional responses, occasionally leading to unexpected drops in cooperation rates, even under positive emotional influence.

Recent advances in large language model (LLM) reasoning, led by reinforcement learning with verifiable rewards (RLVR), have inspired self-play post-training, where models improve by generating and solving their own problems. While self-play has shown strong in-domain and out-of-domain gains, the mechanisms behind these improvements remain poorly understood. In this work, we analyze the training dynamics of self-play through the lens of the Absolute Zero Reasoner, comparing it against RLVR and supervised fine-tuning (SFT). Our study examines parameter update sparsity, entropy dynamics of token distributions, and alternative proposer reward functions. We further connect these dynamics to reasoning performance using pass@k evaluations. Together, our findings clarify how self-play differs from other post-training strategies, highlight its inherent limitations, and point toward future directions for improving LLM math reasoning through self-play.

Reinforcement Learning (RL) has demonstrated significant potential in enhancing the reasoning capabilities of large language models (LLMs). However, the success of RL for LLMs heavily relies on human-curated datasets and verifiable rewards, which limit their scalability and generality. Recent Self-Play RL methods, inspired by the success of the paradigm in games and Go, aim to enhance LLM reasoning capabilities without human-annotated data. However, their methods primarily depend on a grounded environment for feedback (e.g., a Python interpreter or a game engine); extending them to general domains remains challenging. To address these challenges, we propose Multi-Agent Evolve (MAE), a framework that enables LLMs to self-evolve in solving diverse tasks, including mathematics, reasoning, and general knowledge Q&A. The core design of MAE is based on a triplet of interacting agents (Proposer, Solver, Judge) that are instantiated from a single LLM, and applies reinforcement learning to optimize their behaviors. The Proposer generates questions, the Solver attempts solutions, and the Judge evaluates both while co-evolving. Reinforcement Learning (RL) (Kaelbling et al., 1996; Silver et al., 2014) has demonstrated substantial potential in training Large Language Models (LLMs), leading to notable improvements in tasks such as coding and reasoning (Guo et al., 2025). However, these successes rely heavily on human-curated datasets, where ground truth answers are available to provide verifiable rewards (Shao et al., 2024). Human-curated datasets are costly and limited in numbers, which raises concerns about their scalability. Moreover, if LLMs are to advance beyond human-level intelligence in general domains, they will likely require training signals that surpass the capacity of human curation. In this paper, we focus on the central research question: can we build an effective RL framework for LLM to self-improve without human annotation in general domains? Self-Play has long been a proven paradigm for achieving self-improvement in machine learning, particularly in environments with well-defined feedback such as Go, and other games (OpenAI et al., 2019; Silver et al., 2017; Klein, 2022).

Neural networks increasingly run on hardware outside the user's control (cloud GPUs, inference marketplaces). Yet ML-as-a-Service reveals little about what actually ran or whether returned outputs faithfully reflect the intended inputs. Users lack recourse against service downgrades (model swaps, quantization, graph rewrites, or discrepancies like altered ad embeddings). Verifying outputs is hard because floating-point(FP) execution on heterogeneous accelerators is inherently nondeterministic. Existing approaches are either impractical for real FP neural networks or reintroduce vendor trust. We present NAO: a Nondeterministic tolerance Aware Optimistic verification protocol that accepts outputs within principled operator-level acceptance regions rather than requiring bitwise equality. NAO combines two error models: (i) sound per-operator IEEE-754 worst-case bounds and (ii) tight empirical percentile profiles calibrated across hardware. Discrepancies trigger a Merkle-anchored, threshold-guided dispute game that recursively partitions the computation graph until one operator remains, where adjudication reduces to a lightweight theoretical-bound check or a small honest-majority vote against empirical thresholds. Unchallenged results finalize after a challenge window, without requiring trusted hardware or deterministic kernels. We implement NAO as a PyTorch-compatible runtime and a contract layer currently deployed on Ethereum Holesky testnet. The runtime instruments graphs, computes per-operator bounds, and runs unmodified vendor kernels in FP32 with negligible overhead (0.3% on Qwen3-8B). Across CNNs, Transformers and diffusion models on A100, H100, RTX6000, RTX4090, empirical thresholds are $10^2-10^3$ times tighter than theoretical bounds, and bound-aware adversarial attacks achieve 0% success. NAO reconciles scalability with verifiability for real-world heterogeneous ML compute.

Recent advances in large language models (LLMs) opened up new directions for leveraging the collective expertise of multiple LLMs. These methods, such as Mixture-of-Agents, typically employ additional inference steps to generate intermediate outputs, which are then used to produce the final response. While multi-agent inference can enhance response quality, it can significantly increase the time to first token (TTFT), posing a challenge for latency-sensitive applications and hurting user experience. To address this issue, we propose staircase streaming for low-latency multi-agent inference. Instead of waiting for the complete intermediate outputs from previous steps, we begin generating the final response as soon as we receive partial outputs from these steps. Experimental results demonstrate that staircase streaming reduces TTFT by up to 93% while maintaining response quality.

Can large language models improve without external data - by generating their own questions and answers? We hypothesize that a pre-trained language model can improve its reasoning skills given only a single prompt specifying the topic (e.g., algebra word problems) and asking the model to generate its own questions. To do this, we propose Self-Questioning Language Models (SQLM): an asymmetric self-play framework where a proposer is given the topic and generates a question for a solver, who tries to answer it. Both the proposer and solver are trained via reinforcement learning. The proposer receives a reward if the problem is not too easy or too difficult, and the solver receives a reward based on majority voting, a proxy for correctness in the absence of ground-truth answers. For coding, the proposer can instead generate unit tests which are used for verification. We study this asymmetric self-play framework on three benchmarks: three-digit multiplication, algebra problems from the OMEGA benchmark, and programming problems from Codeforces. By continually generating more interesting problems and attempting to solve them, language models can improve on downstream benchmarks without access to any curated training datasets. The only input to the system is a single prompt, given to the proposer.

Clinical trials are critical for advancing medical treatments but remain prohibitively expensive and time-consuming. Accurate prediction of clinical trial outcomes can significantly reduce research and development costs and accelerate drug discovery. While recent deep learning models have shown promise by leveraging unstructured data, their black-box nature, lack of interpretability, and vulnerability to label leakage limit their practical use in high-stakes biomedical contexts. In this work, we propose AutoCT, a novel framework that combines the reasoning capabilities of large language models with the explainability of classical machine learning. AutoCT autonomously generates, evaluates, and refines tabular features based on public information without human input. Our method uses Monte Carlo Tree Search to iteratively optimize predictive performance. Experimental results show that AutoCT performs on par with or better than SOTA methods on clinical trial prediction tasks within only a limited number of self-refinement iterations, establishing a new paradigm for scalable, interpretable, and cost-efficient clinical trial prediction.

Computational models of pragmatic language use have traditionally relied on hand-specified sets of utterances and meanings, limiting their applicability to real-world language use. We propose a neuro-symbolic framework that enhances probabilistic cognitive models by integrating LLM-based modules to propose and evaluate key components in natural language, eliminating the need for manual specification. Through a classic case study of pragmatic question-answering, we systematically examine various approaches to incorporating neural modules into the cognitive model -- from evaluating utilities and literal semantics to generating alternative utterances and goals. We find that hybrid models can match or exceed the performance of traditional probabilistic models in predicting human answer patterns. However, the success of the neuro-symbolic model depends critically on how LLMs are integrated: while they are particularly effective for proposing alternatives and transforming abstract goals into utilities, they face challenges with truth-conditional semantic evaluation. This work charts a path toward more flexible and scalable models of pragmatic language use while illuminating crucial design considerations for balancing neural and symbolic components.