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Brendan Rappazzo

Publications and source records attributed to Brendan Rappazzo.

3 recordsLinked to original sources

Learning to Reason with Mixture of Tokens

Reinforcement learning with verifiable rewards (RLVR) has become a leading approach for improving large language model (LLM) reasoning capabilities. Most current methods follow variants of Group Relative Policy Optimization, which samples multiple reasoning completions, scores them relative to each other, and adjusts the policy accordingly. However, these approaches invariably sample discrete tokens at each reasoning step, discarding the rich distributional information in the model's probability distribution over candidate tokens. While preserving and utilizing this distributional information has proven beneficial in non-RL settings, current RLVR methods seem to be unnecessarily constraining the reasoning search space by not using this information. To address this limitation, we investigate mixture-of-token generation (MoT-G) in RLVR. We present a unified framework that generalizes existing MoT-G approaches, including existing training-free methods that construct mixture embeddings as weighted sums over token embeddings, and extend RLVR to operate directly in this continuous mixture space for generating chain-of-thought. Evaluating two MoT-G variants on Reasoning-Gym, a suite of reasoning-intensive language tasks, we find that MoT--G methods achieve substantial improvements (5--35 \% gains on 7 out of 10 tasks) compared to standard decoding with the Qwen2.5-1.5B model, while reaching comparable accuracy with half the number of trajectories, suggesting improved training efficiency. Through comprehensive hidden-state and token-level analyses, we provide evidence that MoT--G's benefits may stem from its ability to maintain higher hidden-state entropy throughout the reasoning process and promote exploration in token space.

cs.CL

Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery

High-Throughput materials discovery involves the rapid synthesis, measurement, and characterization of many different but structurally-related materials. A key problem in materials discovery, the phase map identification problem, involves the determination of the crystal phase diagram from the materials' composition and structural characterization data. We present Phase-Mapper, a novel AI platform to solve the phase map identification problem that allows humans to interact with both the data and products of AI algorithms, including the incorporation of human feedback to constrain or initialize solutions. Phase-Mapper affords incorporation of any spectral demixing algorithm, including our novel solver, AgileFD, which is based on a convolutive non-negative matrix factorization algorithm. AgileFD can incorporate constraints to capture the physics of the materials as well as human feedback. We compare three solver variants with previously proposed methods in a large-scale experiment involving 20 synthetic systems, demonstrating the efficacy of imposing physical constrains using AgileFD. Phase-Mapper has also been used by materials scientists to solve a wide variety of phase diagrams, including the previously unsolved Nb-Mn-V oxide system, which is provided here as an illustrative example.

cs.AI

Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V-Mn-Nb Oxide System

Rapid construction of phase diagrams is a central tenet of combinatorial materials science with accelerated materials discovery efforts often hampered by challenges in interpreting combinatorial x-ray diffraction datasets, which we address by developing AgileFD, an artificial intelligence algorithm that enables rapid phase mapping from a combinatorial library of x-ray diffraction patterns. AgileFD models alloying-based peak shifting through a novel expansion of convolutional nonnegative matrix factorization, which not only improves the identification of constituent phases but also maps their concentration and lattice parameter as a function of composition. By incorporating Gibbs phase rule into the algorithm, physically meaningful phase maps are obtained with unsupervised operation, and more refined solutions are attained by injecting expert knowledge of the system. The algorithm is demonstrated through investigation of the V-Mn-Nb oxide system where decomposition of eight oxide phases, including two with substantial alloying, provides the first phase map for this pseudo-ternary system. This phase map enables interpretation of high-throughput band gap data, leading to the discovery of new solar light absorbers and the alloying-based tuning of the direct-allowed band-gap energy of MnV2O6. The open-source family of AgileFD algorithms can be implemented into a broad range of high throughput workflows to accelerate materials discovery.

cond-mat.mtrl-sci