TCS-BENCH: Benchmarking State-of-the-Art Generative AI Theoretical Computer Science Research Ability

We introduce TCS-Bench, a benchmark for evaluating Large Language Models (LLMs) on research-level Theoretical Computer Science (TCS) proof generation. TCS-Bench consists of theorem-proving tasks from papers published at top theoretical computer science venues (STOC, FOCS, and SODA). Each task provides the necessary context to derive a self-contained proof for a target result. We evaluate state-of-the-art models on this benchmark. We verify the correctness of generated proofs via a verification agent, and further benchmark the verifier against human-expert proof judgements on a set of target statements and generated proofs pairs. Our reference verifier achieves over 90% accuracy on the expert labeled set.

Towards Automating Scientific Review with Google's Paper Assistant Tool

Artificial intelligence is driving a revolution in scientific discovery, accelerating everything from hypothesis generation to mathematical theorem proving. However, this rapid acceleration is creating a systemic challenge: traditional human peer review cannot scale to match the influx of AI-assisted science. Ultimately, to resolve this tension, we must also deploy AI to accelerate the verification and review process itself. To frame the discussion around this transition, we propose a taxonomy consisting of four progressive levels of AI-human collaboration in scientific evaluation, and discuss various trade-offs involved with each. As a step toward this future, we introduce the Paper Assistant Tool (PAT), an agentic AI framework built for deep scientific review and verification. PAT ingests full scientific manuscripts and produces a comprehensive evaluation, checking theoretical results, validating experiments, suggesting improvements, and identifying potential flaws. By utilizing inference scaling techniques, PAT is able to identify deeper issues than a single model call alone, achieving a 34% improvement over zero-shot recall on mathematical errors in the SPOT benchmark. Pilot deployments of PAT as a pre-submission tool for authors at two major Computer Science conferences -- STOC and ICML -- demonstrate its ability to identify critical errors and suggest substantive improvements to research papers. By catching errors early, PAT eases the cognitive burden placed on referees, while preserving their control over the outcomes of the review process.

Active Learning with Low-Rank Structure for Data Selection

In the data selection problem, the objective is to choose a small, representative subset of data that can be used to efficiently train a machine learning model. Sener and Savarese [ICLR 2018] showed that, given an embedding representation of the data and suitable geometric assumptions, heuristics based on $k$-center clustering can be used to perform data selection. This perspective was further explored by Axiotis et. al. [ICML 2024], who proposed a data selection approach based on $k$-means clustering and sensitivity sampling. However, these methods rely on the assumption that the dataset exhibits intrinsic geometric structure that can be effectively captured by clustering, whereas many modern datasets instead possess global algebraic structure that is better exploited by low-rank approximation or principal component analysis. In this paper, we introduce a new data selection framework based on low-rank approximation and residual-based sampling, formulated through the lens of row subset selection and loss-preserving coreset construction. Given an embedding representation of the data satisfying mild regularity conditions, which can be interpreted as algebraic or angular notions of Lipschitz continuity, we show that it is possible to select a weighted subset of $\tilde{O}\left(k + \frac{1}{\varepsilon^2}\right)$ data points whose average loss approximates the average loss over the full dataset within a $(1+\varepsilon)$ relative error, up to an additive $\varepsilon Φ_k$ term, where $Φ_k$ denotes the optimal rank-$k$ approximation cost of the embedding matrix. We complement these theoretical guarantees with empirical evaluations, demonstrating that on a range of real-world datasets, our data selection approach achieves improved performance over prior strategies based on uniform sampling or clustering-based sensitivity sampling.

Retriever Portfolios: A Principled Approach to Adaptive RAG

Retrieval-augmented generation (RAG) systems typically rely on a single retriever and a single set of hyperparameters, despite facing highly heterogeneous queries that range from simple factoid questions to complex multi-hop reasoning. We propose a method that automatically selects a small, diverse subset of retrievers (a portfolio) from a large pool of candidates, to cover different regions of the target query distribution. We formalize this setting via an expected best-of-$k$ objective over the query distribution and show that it admits an efficient portfolio construction algorithm with near-optimal guarantees. Across multiple QA benchmarks, our learned portfolios and router pipeline consistently outperform single-retriever and naive multi-retriever baselines on both retrieval metrics and answer quality. In addition, compared to inference-time hyperparameter tuning approaches, fixed portfolios enable parallel retrieval and LLM calls, achieving comparable (and sometimes better) accuracy with substantially lower latency and token cost.

Solving an Open Problem in Theoretical Physics using AI-Assisted Discovery

This paper demonstrates that artificial intelligence can accelerate mathematical discovery by autonomously solving an open problem in theoretical physics. We present a neuro-symbolic system, combining the Gemini Deep Think large language model with a systematic Tree Search (TS) framework and automated numerical feedback, that successfully derived novel, exact analytical solutions for the power spectrum of gravitational radiation emitted by cosmic strings. Specifically, the agent evaluated the core integral $I(N,α)$ for arbitrary loop geometries, directly improving upon recent AI-assisted attempts \cite{BCE+25} that only yielded partial asymptotic solutions. To substantiate our methodological claims regarding AI-accelerated discovery and to ensure transparency, we detail system prompts, search constraints, and intermittent feedback loops that guided the model. The agent identified a suite of 6 different analytical methods, the most elegant of which expands the kernel in Gegenbauer polynomials $C_l^{(3/2)}$ to naturally absorb the integrand's singularities. The methods lead to an asymptotic result for $I(N,α)$ at large $N$ that both agrees with numerical results and also connects to the continuous Feynman parameterization of Quantum Field Theory. We detail both the algorithmic methodology that enabled this discovery and the resulting mathematical derivations.

Accelerating Scientific Research with Gemini: Case Studies and Common Techniques

Recent advances in large language models (LLMs) have opened new avenues for accelerating scientific research. While models are increasingly capable of assisting with routine tasks, their ability to contribute to novel, expert-level mathematical discovery is less understood. We present a collection of case studies demonstrating how researchers have successfully collaborated with advanced AI models, specifically Google's Gemini-based models (in particular Gemini Deep Think and its advanced variants), to solve open problems, refute conjectures, and generate new proofs across diverse areas in theoretical computer science, as well as other areas such as economics, optimization, and physics. Based on these experiences, we extract common techniques for effective human-AI collaboration in theoretical research, such as iterative refinement, problem decomposition, and cross-disciplinary knowledge transfer. While the majority of our results stem from this interactive, conversational methodology, we also highlight specific instances that push beyond standard chat interfaces. These include deploying the model as a rigorous adversarial reviewer to detect subtle flaws in existing proofs, and embedding it within a "neuro-symbolic" loop that autonomously writes and executes code to verify complex derivations. Together, these examples highlight the potential of AI not just as a tool for automation, but as a versatile, genuine partner in the creative process of scientific discovery.

Efficient Data Selection at Scale via Influence Distillation

Effective data selection is critical for efficient training of modern Large Language Models (LLMs). This paper introduces Influence Distillation, a novel, mathematically-justified framework for data selection that employs second-order information to optimally weight training samples. By distilling each sample's influence on a target distribution, our method assigns model-specific weights that are used to select training data for LLM fine-tuning, guiding it toward strong performance on the target domain. We derive these optimal weights for both Gradient Descent and Adam optimizers. To ensure scalability and reduce computational cost, we propose a $\textit{landmark-based approximation}$: influence is precisely computed for a small subset of "landmark" samples and then efficiently propagated to all other samples to determine their weights. We validate Influence Distillation by applying it to instruction tuning on the Tulu V2 dataset, targeting a range of tasks including GSM8k, SQuAD, and MMLU, across several models from the Llama and Qwen families. Experiments show that Influence Distillation matches or outperforms state-of-the-art performance while achieving up to $3.5\times$ faster selection.

Less is More: Adaptive Coverage for Synthetic Training Data

Synthetic training data generation with Large Language Models (LLMs) like Google's Gemma and OpenAI's GPT offer a promising solution to the challenge of obtaining large, labeled datasets for training classifiers. When rapid model deployment is critical, such as in classifying emerging social media trends or combating new forms of online abuse tied to current events, the ability to generate training data is invaluable. While prior research has examined the comparability of synthetic data to human-labeled data, this study introduces a novel sampling algorithm, based on the maximum coverage problem, to select a representative subset from a synthetically generated dataset. Our results demonstrate that training a classifier on this contextually sampled subset achieves superior performance compared to training on the entire dataset. This "less is more" approach not only improves accuracy but also reduces the volume of data required, leading to potentially more efficient model fine-tuning.

REINFORCE Adversarial Attacks on Large Language Models: An Adaptive, Distributional, and Semantic Objective

To circumvent the alignment of large language models (LLMs), current optimization-based adversarial attacks usually craft adversarial prompts by maximizing the likelihood of a so-called affirmative response. An affirmative response is a manually designed start of a harmful answer to an inappropriate request. While it is often easy to craft prompts that yield a substantial likelihood for the affirmative response, the attacked model frequently does not complete the response in a harmful manner. Moreover, the affirmative objective is usually not adapted to model-specific preferences and essentially ignores the fact that LLMs output a distribution over responses. If low attack success under such an objective is taken as a measure of robustness, the true robustness might be grossly overestimated. To alleviate these flaws, we propose an adaptive and semantic optimization problem over the population of responses. We derive a generally applicable objective via the REINFORCE policy-gradient formalism and demonstrate its efficacy with the state-of-the-art jailbreak algorithms Greedy Coordinate Gradient (GCG) and Projected Gradient Descent (PGD). For example, our objective doubles the attack success rate (ASR) on Llama3 and increases the ASR from 2% to 50% with circuit breaker defense.

The Geometry of Refusal in Large Language Models: Concept Cones and Representational Independence

The safety alignment of large language models (LLMs) can be circumvented through adversarially crafted inputs, yet the mechanisms by which these attacks bypass safety barriers remain poorly understood. Prior work suggests that a single refusal direction in the model's activation space determines whether an LLM refuses a request. In this study, we propose a novel gradient-based approach to representation engineering and use it to identify refusal directions. Contrary to prior work, we uncover multiple independent directions and even multi-dimensional concept cones that mediate refusal. Moreover, we show that orthogonality alone does not imply independence under intervention, motivating the notion of representational independence that accounts for both linear and non-linear effects. Using this framework, we identify mechanistically independent refusal directions. We show that refusal mechanisms in LLMs are governed by complex spatial structures and identify functionally independent directions, confirming that multiple distinct mechanisms drive refusal behavior. Our gradient-based approach uncovers these mechanisms and can further serve as a foundation for future work on understanding LLMs.