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Mar 14

MT-Ladder: A Model-Agnostic Framework Boosting LLM-based Machine Translation to the Next Level

General-purpose Large Language Models (LLMs) like GPT-4 have achieved remarkable advancements in machine translation (MT) by leveraging extensive web content. On the other hand, translation-specific LLMs are built by pre-training on domain-specific monolingual corpora and fine-tuning with human-annotated translation data. Despite the superior performance, these methods either demand an unprecedented scale of computing and data or substantial human editing and annotation efforts. In this paper, we develop MT-Ladder, a novel model-agnostic and cost-effective tool to refine the performance of general LLMs for MT. MT-Ladder is trained on pseudo-refinement triplets which can be easily obtained from existing LLMs without additional human cost. During training, we propose a hierarchical fine-tuning strategy with an easy-to-hard schema, improving MT-Ladder's refining performance progressively. The trained MT-Ladder can be seamlessly integrated with any general-purpose LLMs to boost their translation performance. By utilizing Gemma-2B/7B as the backbone, MT-Ladder-2B can elevate raw translations to the level of top-tier open-source models (e.g., refining BigTranslate-13B with +6.91 BLEU and +3.52 COMET for XX-En), and MT-Ladder-7B can further enhance model performance to be on par with the state-of-the-art GPT-4. Extensive ablation and analysis corroborate the effectiveness of MT-Ladder in diverse settings. Our code is available at https://github.com/fzp0424/Ladder

Sequence to Sequence Learning with Neural Networks

Deep Neural Networks (DNNs) are powerful models that have achieved excellent performance on difficult learning tasks. Although DNNs work well whenever large labeled training sets are available, they cannot be used to map sequences to sequences. In this paper, we present a general end-to-end approach to sequence learning that makes minimal assumptions on the sequence structure. Our method uses a multilayered Long Short-Term Memory (LSTM) to map the input sequence to a vector of a fixed dimensionality, and then another deep LSTM to decode the target sequence from the vector. Our main result is that on an English to French translation task from the WMT'14 dataset, the translations produced by the LSTM achieve a BLEU score of 34.8 on the entire test set, where the LSTM's BLEU score was penalized on out-of-vocabulary words. Additionally, the LSTM did not have difficulty on long sentences. For comparison, a phrase-based SMT system achieves a BLEU score of 33.3 on the same dataset. When we used the LSTM to rerank the 1000 hypotheses produced by the aforementioned SMT system, its BLEU score increases to 36.5, which is close to the previous best result on this task. The LSTM also learned sensible phrase and sentence representations that are sensitive to word order and are relatively invariant to the active and the passive voice. Finally, we found that reversing the order of the words in all source sentences (but not target sentences) improved the LSTM's performance markedly, because doing so introduced many short term dependencies between the source and the target sentence which made the optimization problem easier.

3D-LLM: Injecting the 3D World into Large Language Models

Large language models (LLMs) and Vision-Language Models (VLMs) have been proven to excel at multiple tasks, such as commonsense reasoning. Powerful as these models can be, they are not grounded in the 3D physical world, which involves richer concepts such as spatial relationships, affordances, physics, layout, and so on. In this work, we propose to inject the 3D world into large language models and introduce a whole new family of 3D-LLMs. Specifically, 3D-LLMs can take 3D point clouds and their features as input and perform a diverse set of 3D-related tasks, including captioning, dense captioning, 3D question answering, task decomposition, 3D grounding, 3D-assisted dialog, navigation, and so on. Using three types of prompting mechanisms that we design, we are able to collect over 300k 3D-language data covering these tasks. To efficiently train 3D-LLMs, we first utilize a 3D feature extractor that obtains 3D features from rendered multi- view images. Then, we use 2D VLMs as our backbones to train our 3D-LLMs. By introducing a 3D localization mechanism, 3D-LLMs can better capture 3D spatial information. Experiments on ScanQA show that our model outperforms state-of-the-art baselines by a large margin (e.g., the BLEU-1 score surpasses state-of-the-art score by 9%). Furthermore, experiments on our held-in datasets for 3D captioning, task composition, and 3D-assisted dialogue show that our model outperforms 2D VLMs. Qualitative examples also show that our model could perform more tasks beyond the scope of existing LLMs and VLMs. Project Page: : https://vis-www.cs.umass.edu/3dllm/.

LiDAR-LLM: Exploring the Potential of Large Language Models for 3D LiDAR Understanding

Recently, Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) have shown promise in instruction following and 2D image understanding. While these models are powerful, they have not yet been developed to comprehend the more challenging 3D physical scenes, especially when it comes to the sparse outdoor LiDAR data. In this paper, we introduce LiDAR-LLM, which takes raw LiDAR data as input and harnesses the remarkable reasoning capabilities of LLMs to gain a comprehensive understanding of outdoor 3D scenes. The central insight of our LiDAR-LLM is the reformulation of 3D outdoor scene cognition as a language modeling problem, encompassing tasks such as 3D captioning, 3D grounding, 3D question answering, etc. Specifically, due to the scarcity of 3D LiDAR-text pairing data, we introduce a three-stage training strategy and generate relevant datasets, progressively aligning the 3D modality with the language embedding space of LLM. Furthermore, we design a View-Aware Transformer (VAT) to connect the 3D encoder with the LLM, which effectively bridges the modality gap and enhances the LLM's spatial orientation comprehension of visual features. Our experiments show that LiDAR-LLM possesses favorable capabilities to comprehend various instructions regarding 3D scenes and engage in complex spatial reasoning. LiDAR-LLM attains a 40.9 BLEU-1 on the 3D captioning task and achieves a 63.1\% classification accuracy and a 14.3\% BEV mIoU on the 3D grounding task. Web page: https://sites.google.com/view/lidar-llm

Improving Translation Faithfulness of Large Language Models via Augmenting Instructions

Large Language Models (LLMs) present strong general capabilities, and a current compelling challenge is stimulating their specialized capabilities, such as machine translation, through low-cost instruction tuning. The standard instruction-following data is sequentially organized as the concatenation of an instruction, an input, and a response. As the attention mechanism of LLMs has limitations on local focus, LLMs tend to focus more on the words or sentences nearby at each position. This leads to a high risk of instruction forgetting during decoding. To alleviate the above issues, We propose SWIE (Segment-Weighted Instruction Embedding) and an instruction-following dataset OVERMISS. SWIE improves the model instruction understanding by adding a global instruction representation on the following input and response representations. OVERMISS improves model faithfulness by comparing over-translation and miss-translation results with the correct translation. We apply our methods to two main-stream open-source LLMs, BLOOM and LLaMA. The experimental results demonstrate significant improvements in translation performance with SWIE based on BLOOMZ-3b, particularly in zero-shot and long text translations due to reduced instruction forgetting risk. Additionally, OVERMISS outperforms the baseline in translation performance (e.g. an increase in BLEU scores from 0.69 to 3.12 and an average improvement of 0.48 percentage comet scores for LLaMA-7b) with further enhancements seen in models combining OVERMISS and SWIE (e.g. the BLUE scores increase up to 0.56 from English to German across three different backbones), and both exhibit improvements in the faithfulness metric based on word alignment.

Machine Translation Advancements of Low-Resource Indian Languages by Transfer Learning

This paper introduces the submission by Huawei Translation Center (HW-TSC) to the WMT24 Indian Languages Machine Translation (MT) Shared Task. To develop a reliable machine translation system for low-resource Indian languages, we employed two distinct knowledge transfer strategies, taking into account the characteristics of the language scripts and the support available from existing open-source models for Indian languages. For Assamese(as) and Manipuri(mn), we fine-tuned the existing IndicTrans2 open-source model to enable bidirectional translation between English and these languages. For Khasi (kh) and Mizo (mz), We trained a multilingual model as a baseline using bilingual data from these four language pairs, along with an additional about 8kw English-Bengali bilingual data, all of which share certain linguistic features. This was followed by fine-tuning to achieve bidirectional translation between English and Khasi, as well as English and Mizo. Our transfer learning experiments produced impressive results: 23.5 BLEU for en-as, 31.8 BLEU for en-mn, 36.2 BLEU for as-en, and 47.9 BLEU for mn-en on their respective test sets. Similarly, the multilingual model transfer learning experiments yielded impressive outcomes, achieving 19.7 BLEU for en-kh, 32.8 BLEU for en-mz, 16.1 BLEU for kh-en, and 33.9 BLEU for mz-en on their respective test sets. These results not only highlight the effectiveness of transfer learning techniques for low-resource languages but also contribute to advancing machine translation capabilities for low-resource Indian languages.

DRT-o1: Optimized Deep Reasoning Translation via Long Chain-of-Thought

Recently, O1-like models have emerged as representative examples, illustrating the effectiveness of long chain-of-thought (CoT) in reasoning tasks such as math and coding tasks. In this paper, we introduce DRT-o1, an attempt to bring the success of long CoT to neural machine translation (MT). Specifically, in view of the literature books that might involve similes and metaphors, translating these texts to a target language is very difficult in practice due to cultural differences. In such cases, literal translation often fails to convey the intended meaning effectively. Even for professional human translators, considerable thought must be given to preserving semantics throughout the translation process. To simulate LLMs' long thought ability in MT, we first mine sentences containing similes or metaphors from existing literature books, and then develop a multi-agent framework to translate these sentences via long thought. In the multi-agent framework, a translator is used to iteratively translate the source sentence under the suggestions provided by an advisor. To ensure the effectiveness of the long thoughts, an evaluator is also employed to judge whether the translation in the current round is better than the previous one or not. In this manner, we collect tens of thousands of long-thought MT data, which is used to train our DRT-o1. The experimental results on literature translation demonstrate the effectiveness of the DRT-o1. Using Qwen2.5-7B and Qwen2.5-14B as the backbones, the improvement brought by DRT-o1 achieves 7.33~8.26 BLEU and 1.66~3.36 CometScore. Besides, DRT-o1-7B can outperform QwQ-32B-Preview by 7.82 BLEU and 1.46 CometScore, showing its effectiveness. The project is available at https://github.com/krystalan/DRT-o1

PowerNorm: Rethinking Batch Normalization in Transformers

The standard normalization method for neural network (NN) models used in Natural Language Processing (NLP) is layer normalization (LN). This is different than batch normalization (BN), which is widely-adopted in Computer Vision. The preferred use of LN in NLP is principally due to the empirical observation that a (naive/vanilla) use of BN leads to significant performance degradation for NLP tasks; however, a thorough understanding of the underlying reasons for this is not always evident. In this paper, we perform a systematic study of NLP transformer models to understand why BN has a poor performance, as compared to LN. We find that the statistics of NLP data across the batch dimension exhibit large fluctuations throughout training. This results in instability, if BN is naively implemented. To address this, we propose Power Normalization (PN), a novel normalization scheme that resolves this issue by (i) relaxing zero-mean normalization in BN, (ii) incorporating a running quadratic mean instead of per batch statistics to stabilize fluctuations, and (iii) using an approximate backpropagation for incorporating the running statistics in the forward pass. We show theoretically, under mild assumptions, that PN leads to a smaller Lipschitz constant for the loss, compared with BN. Furthermore, we prove that the approximate backpropagation scheme leads to bounded gradients. We extensively test PN for transformers on a range of NLP tasks, and we show that it significantly outperforms both LN and BN. In particular, PN outperforms LN by 0.4/0.6 BLEU on IWSLT14/WMT14 and 5.6/3.0 PPL on PTB/WikiText-103. We make our code publicly available at https://github.com/sIncerass/powernorm.

XMainframe: A Large Language Model for Mainframe Modernization

Mainframe operating systems, despite their inception in the 1940s, continue to support critical sectors like finance and government. However, these systems are often viewed as outdated, requiring extensive maintenance and modernization. Addressing this challenge necessitates innovative tools that can understand and interact with legacy codebases. To this end, we introduce XMainframe, a state-of-the-art large language model (LLM) specifically designed with knowledge of mainframe legacy systems and COBOL codebases. Our solution involves the creation of an extensive data collection pipeline to produce high-quality training datasets, enhancing XMainframe's performance in this specialized domain. Additionally, we present MainframeBench, a comprehensive benchmark for assessing mainframe knowledge, including multiple-choice questions, question answering, and COBOL code summarization. Our empirical evaluations demonstrate that XMainframe consistently outperforms existing state-of-the-art LLMs across these tasks. Specifically, XMainframe achieves 30% higher accuracy than DeepSeek-Coder on multiple-choice questions, doubles the BLEU score of Mixtral-Instruct 8x7B on question answering, and scores six times higher than GPT-3.5 on COBOL summarization. Our work highlights the potential of XMainframe to drive significant advancements in managing and modernizing legacy systems, thereby enhancing productivity and saving time for software developers.

TrICy: Trigger-guided Data-to-text Generation with Intent aware Attention-Copy

Data-to-text (D2T) generation is a crucial task in many natural language understanding (NLU) applications and forms the foundation of task-oriented dialog systems. In the context of conversational AI solutions that can work directly with local data on the user's device, architectures utilizing large pre-trained language models (PLMs) are impractical for on-device deployment due to a high memory footprint. To this end, we propose TrICy, a novel lightweight framework for an enhanced D2T task that generates text sequences based on the intent in context and may further be guided by user-provided triggers. We leverage an attention-copy mechanism to predict out-of-vocabulary (OOV) words accurately. Performance analyses on E2E NLG dataset (BLEU: 66.43%, ROUGE-L: 70.14%), WebNLG dataset (BLEU: Seen 64.08%, Unseen 52.35%), and our Custom dataset related to text messaging applications, showcase our architecture's effectiveness. Moreover, we show that by leveraging an optional trigger input, data-to-text generation quality increases significantly and achieves the new SOTA score of 69.29% BLEU for E2E NLG. Furthermore, our analyses show that TrICy achieves at least 24% and 3% improvement in BLEU and METEOR respectively over LLMs like GPT-3, ChatGPT, and Llama 2. We also demonstrate that in some scenarios, performance improvement due to triggers is observed even when they are absent in training.

Improving Few-Shot Prompts with Relevant Static Analysis Products

Large Language Models (LLM) are a new class of computation engines, "programmed" via prompt engineering. We are still learning how to best "program" these LLMs to help developers. We start with the intuition that developers tend to consciously and unconsciously have a collection of semantics facts in mind when working on coding tasks. Mostly these are shallow, simple facts arising from a quick read. For a function, examples of facts might include parameter and local variable names, return expressions, simple pre- and post-conditions, and basic control and data flow, etc. One might assume that the powerful multi-layer architecture of transformer-style LLMs makes them inherently capable of doing this simple level of "code analysis" and extracting such information, implicitly, while processing code: but are they, really? If they aren't, could explicitly adding this information help? Our goal here is to investigate this question, using the code summarization task and evaluate whether automatically augmenting an LLM's prompt with semantic facts explicitly, actually helps. Prior work shows that LLM performance on code summarization benefits from few-shot samples drawn either from the same-project or from examples found via information retrieval methods (such as BM25). While summarization performance has steadily increased since the early days, there is still room for improvement: LLM performance on code summarization still lags its performance on natural-language tasks like translation and text summarization. We find that adding semantic facts actually does help! This approach improves performance in several different settings suggested by prior work, including for two different Large Language Models. In most cases, improvement nears or exceeds 2 BLEU; for the PHP language in the challenging CodeSearchNet dataset, this augmentation actually yields performance surpassing 30 BLEU.

LaDiC: Are Diffusion Models Really Inferior to Autoregressive Counterparts for Image-to-Text Generation?

Diffusion models have exhibited remarkable capabilities in text-to-image generation. However, their performance in image-to-text generation, specifically image captioning, has lagged behind Auto-Regressive (AR) models, casting doubt on their applicability for such tasks. In this work, we revisit diffusion models, highlighting their capacity for holistic context modeling and parallel decoding. With these benefits, diffusion models can alleviate the inherent limitations of AR methods, including their slow inference speed, error propagation, and unidirectional constraints. Furthermore, we identify the prior underperformance of diffusion models stemming from the absence of an effective latent space for image-text alignment, and the discrepancy between continuous diffusion processes and discrete textual data. In response, we introduce a novel architecture, LaDiC, which utilizes a split BERT to create a dedicated latent space for captions and integrates a regularization module to manage varying text lengths. Our framework also includes a diffuser for semantic image-to-text conversion and a Back&Refine technique to enhance token interactivity during inference. LaDiC achieves state-of-the-art performance for diffusion-based methods on the MS COCO dataset with 38.2 BLEU@4 and 126.2 CIDEr, demonstrating exceptional performance without pre-training or ancillary modules. This indicates strong competitiveness with AR models, revealing the previously untapped potential of diffusion models in image-to-text generation.

Gloss-free Sign Language Translation: Improving from Visual-Language Pretraining

Sign Language Translation (SLT) is a challenging task due to its cross-domain nature, involving the translation of visual-gestural language to text. Many previous methods employ an intermediate representation, i.e., gloss sequences, to facilitate SLT, thus transforming it into a two-stage task of sign language recognition (SLR) followed by sign language translation (SLT). However, the scarcity of gloss-annotated sign language data, combined with the information bottleneck in the mid-level gloss representation, has hindered the further development of the SLT task. To address this challenge, we propose a novel Gloss-Free SLT based on Visual-Language Pretraining (GFSLT-VLP), which improves SLT by inheriting language-oriented prior knowledge from pre-trained models, without any gloss annotation assistance. Our approach involves two stages: (i) integrating Contrastive Language-Image Pre-training (CLIP) with masked self-supervised learning to create pre-tasks that bridge the semantic gap between visual and textual representations and restore masked sentences, and (ii) constructing an end-to-end architecture with an encoder-decoder-like structure that inherits the parameters of the pre-trained Visual Encoder and Text Decoder from the first stage. The seamless combination of these novel designs forms a robust sign language representation and significantly improves gloss-free sign language translation. In particular, we have achieved unprecedented improvements in terms of BLEU-4 score on the PHOENIX14T dataset (>+5) and the CSL-Daily dataset (>+3) compared to state-of-the-art gloss-free SLT methods. Furthermore, our approach also achieves competitive results on the PHOENIX14T dataset when compared with most of the gloss-based methods. Our code is available at https://github.com/zhoubenjia/GFSLT-VLP.

Assessing Translation capabilities of Large Language Models involving English and Indian Languages

Generative Large Language Models (LLMs) have achieved remarkable advancements in various NLP tasks. In this work, our aim is to explore the multilingual capabilities of large language models by using machine translation as a task involving English and 22 Indian languages. We first investigate the translation capabilities of raw large language models, followed by exploring the in-context learning capabilities of the same raw models. We fine-tune these large language models using parameter efficient fine-tuning methods such as LoRA and additionally with full fine-tuning. Through our study, we have identified the best performing large language model for the translation task involving LLMs, which is based on LLaMA. Our results demonstrate significant progress, with average BLEU scores of 13.42, 15.93, 12.13, 12.30, and 12.07, as well as CHRF scores of 43.98, 46.99, 42.55, 42.42, and 45.39, respectively, using 2-stage fine-tuned LLaMA-13b for English to Indian languages on IN22 (conversational), IN22 (general), flores200-dev, flores200-devtest, and newstest2019 testsets. Similarly, for Indian languages to English, we achieved average BLEU scores of 14.03, 16.65, 16.17, 15.35 and 12.55 along with chrF scores of 36.71, 40.44, 40.26, 39.51, and 36.20, respectively, using fine-tuned LLaMA-13b on IN22 (conversational), IN22 (general), flores200-dev, flores200-devtest, and newstest2019 testsets. Overall, our findings highlight the potential and strength of large language models for machine translation capabilities, including for languages that are currently underrepresented in LLMs.

CLARA: Clinical Report Auto-completion

Generating clinical reports from raw recordings such as X-rays and electroencephalogram (EEG) is an essential and routine task for doctors. However, it is often time-consuming to write accurate and detailed reports. Most existing methods try to generate the whole reports from the raw input with limited success because 1) generated reports often contain errors that need manual review and correction, 2) it does not save time when doctors want to write additional information into the report, and 3) the generated reports are not customized based on individual doctors' preference. We propose {\it CL}inic{\it A}l {\it R}eport {\it A}uto-completion (CLARA), an interactive method that generates reports in a sentence by sentence fashion based on doctors' anchor words and partially completed sentences. CLARA searches for most relevant sentences from existing reports as the template for the current report. The retrieved sentences are sequentially modified by combining with the input feature representations to create the final report. In our experimental evaluation, CLARA achieved 0.393 CIDEr and 0.248 BLEU-4 on X-ray reports and 0.482 CIDEr and 0.491 BLEU-4 for EEG reports for sentence-level generation, which is up to 35% improvement over the best baseline. Also via our qualitative evaluation, CLARA is shown to produce reports which have a significantly higher level of approval by doctors in a user study (3.74 out of 5 for CLARA vs 2.52 out of 5 for the baseline).

Prompting and Fine-tuning Large Language Models for Automated Code Review Comment Generation

Generating accurate code review comments remains a significant challenge due to the inherently diverse and non-unique nature of the task output. Large language models pretrained on both programming and natural language data tend to perform well in code-oriented tasks. However, large-scale pretraining is not always feasible due to its environmental impact and project-specific generalizability issues. In this work, first we fine-tune open-source Large language models (LLM) in parameter-efficient, quantized low-rank (QLoRA) fashion on consumer-grade hardware to improve review comment generation. Recent studies demonstrate the efficacy of augmenting semantic metadata information into prompts to boost performance in other code-related tasks. To explore this in code review activities, we also prompt proprietary, closed-source LLMs augmenting the input code patch with function call graphs and code summaries. Both of our strategies improve the review comment generation performance, with function call graph augmented few-shot prompting on the GPT-3.5 model surpassing the pretrained baseline by around 90% BLEU-4 score on the CodeReviewer dataset. Moreover, few-shot prompted Gemini-1.0 Pro, QLoRA fine-tuned Code Llama and Llama 3.1 models achieve competitive results (ranging from 25% to 83% performance improvement) on this task. An additional human evaluation study further validates our experimental findings, reflecting real-world developers' perceptions of LLM-generated code review comments based on relevant qualitative metrics.

Paralinguistics-Enhanced Large Language Modeling of Spoken Dialogue

Large Language Models (LLMs) have demonstrated superior abilities in tasks such as chatting, reasoning, and question-answering. However, standard LLMs may ignore crucial paralinguistic information, such as sentiment, emotion, and speaking style, which are essential for achieving natural, human-like spoken conversation, especially when such information is conveyed by acoustic cues. We therefore propose Paralinguistics-enhanced Generative Pretrained Transformer (ParalinGPT), an LLM that utilizes text and speech modalities to better model the linguistic content and paralinguistic attributes of spoken dialogue. The model takes the conversational context of text, speech embeddings, and paralinguistic attributes as input prompts within a serialized multitasking multimodal framework. Specifically, our framework serializes tasks in the order of current paralinguistic attribute prediction, response paralinguistic attribute prediction, and response text generation with autoregressive conditioning. We utilize the Switchboard-1 corpus, including its sentiment labels as the paralinguistic attribute, as our spoken dialogue dataset. Experimental results indicate the proposed serialized multitasking method outperforms typical sequence classification techniques on current and response sentiment classification. Furthermore, leveraging conversational context and speech embeddings significantly improves both response text generation and sentiment prediction. Our proposed framework achieves relative improvements of 6.7%, 12.0%, and 3.5% in current sentiment accuracy, response sentiment accuracy, and response text BLEU score, respectively.

With Greater Text Comes Greater Necessity: Inference-Time Training Helps Long Text Generation

Long text generation, such as novel writing and discourse-level translation with extremely long contexts, presents significant challenges to current language models. Existing methods mainly focus on extending the model's context window through strategies like length extrapolation. However, these approaches demand substantial hardware resources during the training and/or inference phases. Our proposed method, Temp-Lora, introduces an alternative concept. Instead of relying on the KV cache to store all context information, we embeds this information directly into a temporary Lora module. In the process of long text generation, this module is progressively trained with text generated previously. This approach not only efficiently preserves contextual knowledge but also prevents any permanent alteration to the model's parameters given that the module is discarded post-generation. Extensive experiments on the PG19 language modeling benchmark and the GuoFeng discourse-level translation benchmark validate the effectiveness of Temp-Lora. Our results show that: 1) Temp-Lora substantially enhances generation quality for long text, as indicated by a 13.2% decrease in perplexity (PPL) on a subset of PG19, and a 29.3% decrease in PPL along with a 113.2% increase in BLEU score on a subset of GuoFeng, 2) Temp-Lora is compatible with and enhances most existing long text generation methods, and 3) Temp-Lora can greatly reduce computational costs by shortening the context window. For example, we can ensure a moderate improvement in generation quality (a decrease of 3.8% in PPL) while enabling a 51.5% memory usage reduction and a 60.0% decrease in latency for inference.

Navigating Chemical-Linguistic Sharing Space with Heterogeneous Molecular Encoding

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and molecular representations. This challenge is primarily due to the inherent modeling differences between molecules and texts: molecules operate unified modeling to learn chemical space, while natural language sequentially models the semantic space. Additionally, the limited availability of high-quality text-to-molecule datasets further exacerbates this challenge. To address the problem, we first verified the information bias in molecular representations from different perspectives. We then developed the Heterogeneous Molecular Encoding (HME) framework, a unified molecular encoder compressing the molecular features from fragment sequence, topology, and conformation with Q-learning. To better model chemical-linguistic space, we further constructed the MCMoD dataset, which contains over one million molecules with various conditions, including properties, fragments, and descriptions. Experimentally, HME promotes CLMs to achieve chemical-linguistic sharing space exploration: (1) chemical space exploration with linguistic guidance, where HME achieves significant improvements (+37.8\% FCD) for molecular design in multiple constraints, even in zero-shot scenarios; (2) linguistic space exploration with molecular guidance, where HME generates textual descriptions with high qualities (+11.6\% BLEU) for molecules. These results highlight the precision of HME in handling multi-objective and cross-domain tasks, as well as its remarkable generalization capability on unseen task combinations. HME offers a new perspective on navigating chemical-linguistic sharing space, advancing the potential of CLMs in both fundamental research and practical applications in chemistry.

ADAHESSIAN: An Adaptive Second Order Optimizer for Machine Learning

We introduce ADAHESSIAN, a second order stochastic optimization algorithm which dynamically incorporates the curvature of the loss function via ADAptive estimates of the HESSIAN. Second order algorithms are among the most powerful optimization algorithms with superior convergence properties as compared to first order methods such as SGD and Adam. The main disadvantage of traditional second order methods is their heavier per iteration computation and poor accuracy as compared to first order methods. To address these, we incorporate several novel approaches in ADAHESSIAN, including: (i) a fast Hutchinson based method to approximate the curvature matrix with low computational overhead; (ii) a root-mean-square exponential moving average to smooth out variations of the Hessian diagonal across different iterations; and (iii) a block diagonal averaging to reduce the variance of Hessian diagonal elements. We show that ADAHESSIAN achieves new state-of-the-art results by a large margin as compared to other adaptive optimization methods, including variants of Adam. In particular, we perform extensive tests on CV, NLP, and recommendation system tasks and find that ADAHESSIAN: (i) achieves 1.80%/1.45% higher accuracy on ResNets20/32 on Cifar10, and 5.55% higher accuracy on ImageNet as compared to Adam; (ii) outperforms AdamW for transformers by 0.13/0.33 BLEU score on IWSLT14/WMT14 and 2.7/1.0 PPL on PTB/Wikitext-103; (iii) outperforms AdamW for SqueezeBert by 0.41 points on GLUE; and (iv) achieves 0.032% better score than Adagrad for DLRM on the Criteo Ad Kaggle dataset. Importantly, we show that the cost per iteration of ADAHESSIAN is comparable to first order methods, and that it exhibits robustness towards its hyperparameters.