new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Mar 20

Crystal Transformer: Self-learning neural language model for Generative and Tinkering Design of Materials

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking-based pre-trained language models are not designed for generative design, and their black-box nature makes it difficult to interpret their design logic. Here we propose BLMM Crystal Transformer, a neural network based probabilistic generative model for generative and tinkering design of inorganic materials. Our model is built on the blank filling language model for text generation and has demonstrated unique advantages in learning the "materials grammars" together with high-quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7\% charge neutrality and 84.8\% balanced electronegativity, which are more than 4 and 8 times higher compared to a pseudo random sampling baseline. The probabilistic generation process of BLMM allows it to recommend tinkering operations based on learned materials chemistry and makes it useful for materials doping. Combined with the TCSP crysal structure prediction algorithm, We have applied our model to discover a set of new materials as validated using DFT calculations. Our work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user-friendly web app has been developed for computational materials doping and can be accessed freely at www.materialsatlas.org/blmtinker.

  • 7 authors
·
Apr 25, 2022

Machine Bullshit: Characterizing the Emergent Disregard for Truth in Large Language Models

Bullshit, as conceptualized by philosopher Harry Frankfurt, refers to statements made without regard to their truth value. While previous work has explored large language model (LLM) hallucination and sycophancy, we propose machine bullshit as an overarching conceptual framework that can allow researchers to characterize the broader phenomenon of emergent loss of truthfulness in LLMs and shed light on its underlying mechanisms. We introduce the Bullshit Index, a novel metric quantifying LLMs' indifference to truth, and propose a complementary taxonomy analyzing four qualitative forms of bullshit: empty rhetoric, paltering, weasel words, and unverified claims. We conduct empirical evaluations on the Marketplace dataset, the Political Neutrality dataset, and our new BullshitEval benchmark (2,400 scenarios spanning 100 AI assistants) explicitly designed to evaluate machine bullshit. Our results demonstrate that model fine-tuning with reinforcement learning from human feedback (RLHF) significantly exacerbates bullshit and inference-time chain-of-thought (CoT) prompting notably amplify specific bullshit forms, particularly empty rhetoric and paltering. We also observe prevalent machine bullshit in political contexts, with weasel words as the dominant strategy. Our findings highlight systematic challenges in AI alignment and provide new insights toward more truthful LLM behavior.

  • 6 authors
·
Jul 10, 2025 2

AMBEDKAR-A Multi-level Bias Elimination through a Decoding Approach with Knowledge Augmentation for Robust Constitutional Alignment of Language Models

Large Language Models (LLMs) can inadvertently reflect societal biases present in their training data, leading to harmful or prejudiced outputs. In the Indian context, our empirical evaluations across a suite of models reveal that biases around caste and religion are particularly salient. Yet, most existing mitigation strategies are Western-centric and fail to address these local nuances. We propose AMBEDKAR, a framework inspired by the egalitarian vision of Dr B. R. Ambedkar, architect of the Indian Constitution, to guide LLM outputs toward fairness, neutrality, and inclusion in line with Articles 14 to 17. Our approach introduces a Constitution-Aware Decoding Layer, guided by the AI Constitution of India and applied only at inference time, without any parameter updates to the base model. We incorporate a speculative decoding algorithm that proactively reduces casteist and communal bias during generation. This mitigation layer operates directly within the decoding process, avoiding changes to model internals and lowering the computational and infrastructural costs associated with retraining. We reinterpret speculative decoding not merely as an efficiency tool but as a mechanism for fairness. In this framework, a Small Language Model (SLM) acts as a potentially biased generator, while a constitutionally guided Large Language Model (LLM) serves as the verifier. Rather than accelerating generation, the LLM enforces bias-robust trajectories in the SLM outputs. This inversion of roles gives rise to a fairness-by-speculation paradigm. Our approach yields an absolute reduction of bias up to 26.41 percent compared to baseline. Our source code, datasets, and results are available at https://anonymous.4open.science/r/AMBEDKAR-983B/

  • 8 authors
·
Sep 2, 2025 1

Reprogramming Pretrained Language Models for Antibody Sequence Infilling

Antibodies comprise the most versatile class of binding molecules, with numerous applications in biomedicine. Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency. Unique to antibodies, designing the complementarity-determining region (CDR), which determines the antigen binding affinity and specificity, creates its own unique challenges. Recent deep learning models have shown impressive results, however the limited number of known antibody sequence/structure pairs frequently leads to degraded performance, particularly lacking diversity in the generated sequences. In our work we address this challenge by leveraging Model Reprogramming (MR), which repurposes pretrained models on a source language to adapt to the tasks that are in a different language and have scarce data - where it may be difficult to train a high-performing model from scratch or effectively fine-tune an existing pre-trained model on the specific task. Specifically, we introduce ReprogBert in which a pretrained English language model is repurposed for protein sequence infilling - thus considers cross-language adaptation using less data. Results on antibody design benchmarks show that our model on low-resourced antibody sequence dataset provides highly diverse CDR sequences, up to more than a two-fold increase of diversity over the baselines, without losing structural integrity and naturalness. The generated sequences also demonstrate enhanced antigen binding specificity and virus neutralization ability. Code is available at https://github.com/IBM/ReprogBERT

  • 7 authors
·
Oct 5, 2022

SAID: Empowering Large Language Models with Self-Activating Internal Defense

Large Language Models (LLMs), despite advances in safety alignment, remain vulnerable to jailbreak attacks designed to circumvent protective mechanisms. Prevailing defense strategies rely on external interventions, such as input filtering or output modification, which often lack generalizability and compromise model utility while incurring significant computational overhead. In this work, we introduce a new, training-free defense paradigm, Self-Activating Internal Defense (SAID), which reframes the defense task from external correction to internal capability activation. SAID uniquely leverages the LLM's own reasoning abilities to proactively identify and neutralize malicious intent through a three-stage pipeline: model-native intent distillation to extract core semantics, optimal safety prefix probing to activate latent safety awareness, and a conservative aggregation strategy to ensure robust decision-making. Extensive experiments on five open-source LLMs against six advanced jailbreak attacks demonstrate that SAID substantially outperforms state-of-the-art defenses in reducing harmful outputs. Crucially, it achieves this while preserving model performance on benign tasks and incurring minimal computational overhead. Our work establishes that activating the intrinsic safety mechanisms of LLMs is a more robust and scalable path toward building safer and more reliable aligned AI systems.

  • 6 authors
·
Oct 22, 2025

Acoustic-based Gender Differentiation in Speech-aware Language Models

Speech-aware Language Models (SpeechLMs) have fundamentally transformed human-AI interaction by enabling voice-based communication, yet they may exhibit acoustic-based gender differentiation where identical questions lead to different responses based on the speaker's gender. This paper propose a new dataset that enables systematic analysis of this phenomenon, containing 9,208 speech samples across three categories: Gender-Independent, Gender-Stereotypical, and Gender-Dependent. We further evaluated LLaMA-Omni series and discovered a paradoxical pattern; while overall responses seems identical regardless of gender, the pattern is far from unbiased responses. Specifically, in Gender-Stereotypical questions, all models consistently exhibited male-oriented responses; meanwhile, in Gender-Dependent questions where gender differentiation would be contextually appropriate, models exhibited responses independent to gender instead. We also confirm that this pattern does not result from neutral options nor perceived gender of a voice. When we allow neutral response, models tends to respond neutrally also in Gender-Dependent questions. The paradoxical pattern yet retains when we applied gender neutralization methods on speech. Through comparison between SpeechLMs with corresponding backbone LLMs, we confirmed that these paradoxical patterns primarily stem from Whisper speech encoders, which generates male-oriented acoustic tokens. These findings reveal that current SpeechLMs may not successfully remove gender biases though they prioritized general fairness principles over contextual appropriateness, highlighting the need for more sophisticated techniques to utilize gender information properly in speech technology.

  • 6 authors
·
Sep 25, 2025

Cross-Lingual Consistency: A Novel Inference Framework for Advancing Reasoning in Large Language Models

Chain-of-thought (CoT) has emerged as a critical mechanism for enhancing reasoning capabilities in large language models (LLMs), with self-consistency demonstrating notable promise in boosting performance. However, inherent linguistic biases in multilingual training corpora frequently cause semantic drift and logical inconsistencies, especially in sub-10B parameter LLMs handling complex inference tasks. To overcome these constraints, we propose the Cross-Lingual Consistency (CLC) framework, an innovative inference paradigm that integrates multilingual reasoning paths through majority voting to elevate LLMs' reasoning capabilities. Empirical evaluations on the CMATH dataset reveal CLC's superiority over the conventional self-consistency method, delivering 9.5%, 6.5%, and 6.0% absolute accuracy gains for DeepSeek-Math-7B-Instruct, Qwen2.5-Math-7B-Instruct, and Gemma2-9B-Instruct respectively. Expanding CLC's linguistic scope to 11 diverse languages implies two synergistic benefits: 1) neutralizing linguistic biases in multilingual training corpora through multilingual ensemble voting, 2) escaping monolingual reasoning traps by exploring the broader multilingual solution space. This dual benefits empirically enables more globally optimal reasoning paths compared to monolingual self-consistency baselines, as evidenced by the 4.1%-18.5% accuracy gains using Gemma2-9B-Instruct on the MGSM dataset.

  • 5 authors
·
Apr 2, 2025

Proactive Disentangled Modeling of Trigger-Object Pairings for Backdoor Defense

Deep neural networks (DNNs) and generative AI (GenAI) are increasingly vulnerable to backdoor attacks, where adversaries embed triggers into inputs to cause models to misclassify or misinterpret target labels. Beyond traditional single-trigger scenarios, attackers may inject multiple triggers across various object classes, forming unseen backdoor-object configurations that evade standard detection pipelines. In this paper, we introduce DBOM (Disentangled Backdoor-Object Modeling), a proactive framework that leverages structured disentanglement to identify and neutralize both seen and unseen backdoor threats at the dataset level. Specifically, DBOM factorizes input image representations by modeling triggers and objects as independent primitives in the embedding space through the use of Vision-Language Models (VLMs). By leveraging the frozen, pre-trained encoders of VLMs, our approach decomposes the latent representations into distinct components through a learnable visual prompt repository and prompt prefix tuning, ensuring that the relationships between triggers and objects are explicitly captured. To separate trigger and object representations in the visual prompt repository, we introduce the trigger-object separation and diversity losses that aids in disentangling trigger and object visual features. Next, by aligning image features with feature decomposition and fusion, as well as learned contextual prompt tokens in a shared multimodal space, DBOM enables zero-shot generalization to novel trigger-object pairings that were unseen during training, thereby offering deeper insights into adversarial attack patterns. Experimental results on CIFAR-10 and GTSRB demonstrate that DBOM robustly detects poisoned images prior to downstream training, significantly enhancing the security of DNN training pipelines.

  • 4 authors
·
Aug 3, 2025