Faithful free-text explanations are important to ensure transparency in high-stakes AI decision-making contexts, but they are challenging to generate by language models and assess by humans. In this paper, we present a measure for Prediction-EXplanation (PEX) consistency, by extending the concept of weight of evidence. This measure quantifies how much a free-text explanation supports or opposes a prediction, serving as an important aspect of explanation faithfulness. Our analysis reveals that more than 62% explanations generated by large language models lack this consistency. We show that applying direct preference optimization improves the consistency of generated explanations across three model families, with improvement ranging from 43.1% to 292.3%. Furthermore, we demonstrate that optimizing this consistency measure can improve explanation faithfulness by up to 9.7%.

Quantization and fine-tuning are crucial for deploying large language models (LLMs) on resource-constrained edge devices. However, fine-tuning quantized models presents significant challenges, primarily stemming from: First, the mismatch in data types between the low-precision quantized weights (e.g., 4-bit) and the high-precision adaptation weights (e.g., 16-bit). This mismatch limits the computational efficiency advantage offered by quantized weights during inference. Second, potential accuracy degradation when merging these high-precision adaptation weights into the low-precision quantized weights, as the adaptation weights often necessitate approximation or truncation. Third, as far as we know, no existing methods support the lossless merging of adaptation while adjusting all quantized weights. To address these challenges, we introduce lossless ternary adaptation for quantization-aware fine-tuning (LoTA-QAF). This is a novel fine-tuning method specifically designed for quantized LLMs, enabling the lossless merging of ternary adaptation weights into quantized weights and the adjustment of all quantized weights. LoTA-QAF operates through a combination of: i) A custom-designed ternary adaptation (TA) that aligns ternary weights with the quantization grid and uses these ternary weights to adjust quantized weights. ii) A TA-based mechanism that enables the lossless merging of adaptation weights. iii) Ternary signed gradient descent (t-SignSGD) for updating the TA weights. We apply LoTA-QAF to Llama-3.1/3.3 and Qwen-2.5 model families and validate its effectiveness on several downstream tasks. On the MMLU benchmark, our method effectively recovers performance for quantized models, surpassing 16-bit LoRA by up to 5.14\%. For task-specific fine-tuning, 16-bit LoRA achieves superior results, but LoTA-QAF still outperforms other methods. Code: github.com/KingdalfGoodman/LoTA-QAF.

Retrieval-Augmented Generation (RAG) has emerged as a promising technique to enhance the quality and relevance of responses generated by large language models. While recent advancements have mainly focused on improving RAG for text-based queries, RAG on multi-modal documents containing both texts and images has not been fully explored. Especially when fine-tuning does not work. This paper proposes BRIT, a novel multi-modal RAG framework that effectively unifies various text-image connections in the document into a multi-modal graph and retrieves the texts and images as a query-specific sub-graph. By traversing both image-to-text and text-to-image paths in the graph, BRIT retrieve not only directly query-relevant images and texts but also further relevant contents to answering complex cross-modal multi-hop questions. To evaluate the effectiveness of BRIT, we introduce MM-RAG test set specifically designed for multi-modal question answering tasks that require to understand the text-image relations. Our comprehensive experiments demonstrate the superiority of BRIT, highlighting its ability to handle cross-modal questions on the multi-modal documents.

Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building blocks. While recent deep generative models have enabled scalable MOF generation, they assume (1) a fixed set of building blocks and (2) known local 3D coordinates of building blocks. However, this limits their ability to (1) design novel MOFs and (2) generate the structure using novel building blocks. We propose a two-stage MOF generation framework that overcomes these limitations by modeling both chemical and geometric degrees of freedom. First, we train an SMILES-based autoregressive model to generate metal and organic building blocks, paired with a cheminformatics toolkit for 3D structure initialization. Second, we introduce a flow matching model that predicts translations, rotations, and torsional angles to assemble the blocks into valid 3D frameworks. Our experiments demonstrate improved reconstruction accuracy, the generation of valid, novel, and unique MOFs, and the ability to create novel building blocks. Our code is available at https://github.com/nayoung10/MOFFlow-2.

Theory-of-Mind (ToM) tasks pose a unique challenge for large language models (LLMs), which often lack the capability for dynamic logical reasoning. In this work, we propose DEL-ToM, a framework that improves verifiable ToM reasoning through inference-time scaling rather than architectural changes. Our approach decomposes ToM tasks into a sequence of belief updates grounded in Dynamic Epistemic Logic (DEL), enabling structured and verifiable dynamic logical reasoning. We use data generated automatically via a DEL simulator to train a verifier, which we call the Process Belief Model (PBM), to score each belief update step. During inference, the PBM evaluates candidate belief traces from the LLM and selects the highest-scoring one. This allows LLMs to allocate extra inference-time compute to yield more transparent reasoning. Experiments across model scales and benchmarks show that DEL-ToM consistently improves performance, demonstrating that verifiable belief supervision significantly enhances LLMs' ToM capabilities without retraining. Code is available at https://github.com/joel-wu/DEL-ToM.

Large language models (LLMs) excel at language understanding and generation, but their enormous computational and memory requirements hinder deployment. Compression offers a potential solution to mitigate these constraints. However, most existing methods rely on fixed heuristics and thus fail to adapt to runtime memory variations or heterogeneous KV-cache demands arising from diverse user requests. To address these limitations, we propose RAP, an elastic pruning framework driven by reinforcement learning (RL) that dynamically adjusts compression strategies in a runtime-aware manner. Specifically, RAP dynamically tracks the evolving ratio between model parameters and KV-cache across practical execution. Recognizing that FFNs house most parameters, whereas parameter -light attention layers dominate KV-cache formation, the RL agent retains only those components that maximize utility within the current memory budget, conditioned on instantaneous workload and device state. Extensive experiments results demonstrate that RAP outperforms state-of-the-art baselines, marking the first time to jointly consider model weights and KV-cache on the fly.

Large language models (LLMs) offer impressive performance but are impractical for resource-constrained deployment due to high latency and energy consumption. Knowledge distillation (KD) addresses this by transferring knowledge from a large teacher to a smaller student model. However, conventional KD, notably approaches like Forward KL (FKL) and Reverse KL (RKL), apply uniform divergence loss across the entire vocabulary, neglecting token-level prediction discrepancies. By investigating these representative divergences via gradient analysis, we reveal that FKL boosts underestimated tokens, while RKL suppresses overestimated ones, showing their complementary roles. Based on this observation, we propose Token-wise Distillation (ToDi), a novel method that adaptively combines FKL and RKL per token using a sigmoid-based weighting function derived from the teacher-student probability log-ratio. ToDi dynamically emphasizes the appropriate divergence for each token, enabling precise distribution alignment. We demonstrate that ToDi consistently outperforms recent distillation baselines using uniform or less granular strategies across instruction-following benchmarks. Extensive ablation studies and efficiency analysis further validate ToDi's effectiveness and practicality.

We introduce a novel dataset designed to benchmark the physical and spatial reasoning capabilities of Large Language Models (LLM) based on topology optimization, a method for computing optimal material distributions within a design space under prescribed loads and supports. In this dataset, LLMs are provided with conditions such as 2D boundary, applied forces and supports, and must reason about the resulting optimal material distribution. The dataset includes a variety of tasks, ranging from filling in masked regions within partial structures to predicting complete material distributions. Solving these tasks requires understanding the flow of forces and the required material distribution under given constraints, without access to simulation tools or explicit physical models, challenging models to reason about structural stability and spatial organization. Our dataset targets the evaluation of spatial and physical reasoning abilities in 2D settings, offering a complementary perspective to traditional language and logic benchmarks.

Large vision-language models (L VLMs) remain vulnerable to hallucination, often generating content misaligned with visual inputs. Although recent training-based approaches aim to mitigate hallucination, they typically rely on predefined or randomly edited negative samples that do not reflect actual model errors, thus limiting training efficacy. In this work, we propose an Online Vision-language Preference Learning (OViP) framework that dynamically constructs contrastive training data based on the model's own hallucinated outputs. By identifying semantic differences between sampled response pairs and synthesizing negative images using a diffusion model, OViP generates more relevant supervision signals in real time. This failure-driven training enables adaptive alignment of both textual and visual preferences. Moreover, we refine existing evaluation protocols to better capture the trade-off between hallucination suppression and expressiveness. Experiments on hallucination and general benchmarks demonstrate that OViP not only reduces hallucinations while preserving core multi-modal capabilities, but also substantially improves training efficiency. However, L VLMs continue to struggle with persistent hallucination issues (Li et al., 2023b; Bai et al., 2024), often exhibiting incorrect references to visual content (Liu et al., 2024a; Zhou et al., 2023; Bai et al., 2024). These errors manifest as misattributing object properties, describing nonexistent entities, or fabricating spatial relationships that do not align with the image. Such inconsistencies undermine the model's faithfulness to the input and hinder further reasoning capabilities, significantly limiting the reliability of L VLMs in real-world applications. Recent success of Direct Preference Optimization (DPO) (Rafailov et al., 2023) in LLMs alignment has inspired the exploration of multi-modal DPO to mitigate hallucination in L VLMs (Y u et al., 2024a;b; Xie et al., 2024; Sarkar et al., 2024). However, early efforts directly extend the original DPO designs from LLMs to L VLMs by constructing preference pairs solely on textual responses given the same image input, primarily focusing on response-side preference optimization and showing limited effectiveness.

Process Reward Models (PRMs), which provide step-level feedback on reasoning traces generated by Large Language Models (LLMs), are receiving increasing attention. However, two key research gaps remain: creating PRM training data requires costly human annotation to label accurate step-level errors, and existing PRMs are limited to math reasoning domains. In response to these gaps, this paper aims to enable automatic synthesis of accurate PRM training data and the generalization of PRMs to diverse reasoning tasks beyond math reasoning. We propose FoVer, an approach to synthesize PRM training data with accurate step-level error labels automatically annotated by formal verification tools, such as Z3 and Isabelle. To show the practical effectiveness of FoVer, we synthesize a training dataset by annotating step-level error labels on LLM responses to formal logic and theorem proving tasks, without relying on human annotation. While FoVer creates training data with symbolic tasks compatible with formal verification, our experiments show that PRMs trained on our dataset exhibit cross-task generalization, enabling a single PRM to effectively perform verification across diverse reasoning tasks. Specifically, LLM-based PRMs trained with FoVer significantly outperform PRMs based on the original LLMs and achieve competitive or superior results compared to state-of-the-art PRMs, as measured by step-level verification on ProcessBench and Best-of-K performance across 12 reasoning benchmarks, including MATH, AIME, ANLI, MMLU, and BBH. The dataset and code are in the supplementary material and will be made public. The datasets, models, and code are provided at https://github.com/psunlpgroup/FoVer.