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Mar 11

UniPredict: Large Language Models are Universal Tabular Classifiers

Tabular data prediction is a fundamental machine learning task for many applications. Existing methods predominantly employ discriminative modeling and operate under the assumption of a fixed target column, necessitating re-training for every new predictive task. Inspired by the generative power of large language models (LLMs), this paper exploits the idea of building universal tabular data predictors based on generative modeling, namely UniPredict. Here, we demonstrate the scalability of an LLM to extensive tabular datasets, enabling it to comprehend diverse tabular inputs and predict target variables following the provided instructions. Specifically, we train a single LLM on an aggregation of 169 tabular datasets with diverse targets and compare its performance against baselines that are trained on each dataset separately. We observe this versatile UniPredict model demonstrates an advantage over other models, ranging from 5.4% to 13.4%, when compared with the best tree-boosting baseline and the best neural network baseline, respectively. We further test UniPredict in few-shot learning settings on another 62 tabular datasets. Our method achieves strong performance in quickly adapting to new tasks. In low-resource few-shot setup, we observed a 100%+ performance advantage compared with XGBoost, and significant margin over all baselines. We envision that UniPredict sheds light on developing a universal tabular data prediction system that learns from data at scale and serves a wide range of prediction tasks.

ML-driven Hardware Cost Model for MLIR

During early optimization passes, compilers must make predictions for machine-dependent characteristics such as execution unit utilization, number of register spills, latency, throughput etc. to generate better code. Often a hand-written static/analytical hardware cost model is built into the compiler. However, the need for more sophisticated and varied predictions has become more pronounced with the development of deep learning compilers which need to optimize dataflow graphs. Such compilers usually employ a much higher level MLIR form as an IR representation before lowering to traditional LLVM-IR. A static/analytical cost model in such a scenario is cumbersome and error prone as the opcodes represent very high level algebraic/arithmetic operations. Hence, we develop a machine learning-based cost model for high-level MLIR which can predict different target variables of interest such as CPU/GPU/xPU utilization, instructions executed, register usage etc. By considering the incoming MLIR as a text input a la NLP models we can apply well-known techniques from modern NLP research to help predict hardware characteristics more accurately. We expect such precise ML-driven hardware cost models to guide our deep learning compiler in graph level optimizations around operator fusion, local memory allocation, kernel scheduling etc. as well as in many kernel-level optimizations such as loop interchange, LICM and unroll. We report early work-in -progress results of developing such models on high-level MLIR representing dataflow graphs emitted by Pytorch/Tensorflow-like frameworks as well as lower-level dialects like affine. We show that these models can provide reasonably good estimates with low error bounds for various hardware characteristics of interest and can be a go-to mechanism for hardware cost modelling in the future.

ArK: Augmented Reality with Knowledge Interactive Emergent Ability

Despite the growing adoption of mixed reality and interactive AI agents, it remains challenging for these systems to generate high quality 2D/3D scenes in unseen environments. The common practice requires deploying an AI agent to collect large amounts of data for model training for every new task. This process is costly, or even impossible, for many domains. In this study, we develop an infinite agent that learns to transfer knowledge memory from general foundation models (e.g. GPT4, DALLE) to novel domains or scenarios for scene understanding and generation in the physical or virtual world. The heart of our approach is an emerging mechanism, dubbed Augmented Reality with Knowledge Inference Interaction (ArK), which leverages knowledge-memory to generate scenes in unseen physical world and virtual reality environments. The knowledge interactive emergent ability (Figure 1) is demonstrated as the observation learns i) micro-action of cross-modality: in multi-modality models to collect a large amount of relevant knowledge memory data for each interaction task (e.g., unseen scene understanding) from the physical reality; and ii) macro-behavior of reality-agnostic: in mix-reality environments to improve interactions that tailor to different characterized roles, target variables, collaborative information, and so on. We validate the effectiveness of ArK on the scene generation and editing tasks. We show that our ArK approach, combined with large foundation models, significantly improves the quality of generated 2D/3D scenes, compared to baselines, demonstrating the potential benefit of incorporating ArK in generative AI for applications such as metaverse and gaming simulation.

Constructing interval variables via faceted Rasch measurement and multitask deep learning: a hate speech application

We propose a general method for measuring complex variables on a continuous, interval spectrum by combining supervised deep learning with the Constructing Measures approach to faceted Rasch item response theory (IRT). We decompose the target construct, hate speech in our case, into multiple constituent components that are labeled as ordinal survey items. Those survey responses are transformed via IRT into a debiased, continuous outcome measure. Our method estimates the survey interpretation bias of the human labelers and eliminates that influence on the generated continuous measure. We further estimate the response quality of each labeler using faceted IRT, allowing responses from low-quality labelers to be removed. Our faceted Rasch scaling procedure integrates naturally with a multitask deep learning architecture for automated prediction on new data. The ratings on the theorized components of the target outcome are used as supervised, ordinal variables for the neural networks' internal concept learning. We test the use of an activation function (ordinal softmax) and loss function (ordinal cross-entropy) designed to exploit the structure of ordinal outcome variables. Our multitask architecture leads to a new form of model interpretation because each continuous prediction can be directly explained by the constituent components in the penultimate layer. We demonstrate this new method on a dataset of 50,000 social media comments sourced from YouTube, Twitter, and Reddit and labeled by 11,000 U.S.-based Amazon Mechanical Turk workers to measure a continuous spectrum from hate speech to counterspeech. We evaluate Universal Sentence Encoders, BERT, and RoBERTa as language representation models for the comment text, and compare our predictive accuracy to Google Jigsaw's Perspective API models, showing significant improvement over this standard benchmark.

A Hierarchical Bayesian Model for Deep Few-Shot Meta Learning

We propose a novel hierarchical Bayesian model for learning with a large (possibly infinite) number of tasks/episodes, which suits well the few-shot meta learning problem. We consider episode-wise random variables to model episode-specific target generative processes, where these local random variables are governed by a higher-level global random variate. The global variable helps memorize the important information from historic episodes while controlling how much the model needs to be adapted to new episodes in a principled Bayesian manner. Within our model framework, the prediction on a novel episode/task can be seen as a Bayesian inference problem. However, a main obstacle in learning with a large/infinite number of local random variables in online nature, is that one is not allowed to store the posterior distribution of the current local random variable for frequent future updates, typical in conventional variational inference. We need to be able to treat each local variable as a one-time iterate in the optimization. We propose a Normal-Inverse-Wishart model, for which we show that this one-time iterate optimization becomes feasible due to the approximate closed-form solutions for the local posterior distributions. The resulting algorithm is more attractive than the MAML in that it is not required to maintain computational graphs for the whole gradient optimization steps per episode. Our approach is also different from existing Bayesian meta learning methods in that unlike dealing with a single random variable for the whole episodes, our approach has a hierarchical structure that allows one-time episodic optimization, desirable for principled Bayesian learning with many/infinite tasks. The code is available at https://github.com/minyoungkim21/niwmeta.

What Can Be Learnt With Wide Convolutional Neural Networks?

Understanding how convolutional neural networks (CNNs) can efficiently learn high-dimensional functions remains a fundamental challenge. A popular belief is that these models harness the local and hierarchical structure of natural data such as images. Yet, we lack a quantitative understanding of how such structure affects performance, e.g., the rate of decay of the generalisation error with the number of training samples. In this paper, we study infinitely-wide deep CNNs in the kernel regime. First, we show that the spectrum of the corresponding kernel inherits the hierarchical structure of the network, and we characterise its asymptotics. Then, we use this result together with generalisation bounds to prove that deep CNNs adapt to the spatial scale of the target function. In particular, we find that if the target function depends on low-dimensional subsets of adjacent input variables, then the decay of the error is controlled by the effective dimensionality of these subsets. Conversely, if the target function depends on the full set of input variables, then the error decay is controlled by the input dimension. We conclude by computing the generalisation error of a deep CNN trained on the output of another deep CNN with randomly-initialised parameters. Interestingly, we find that, despite their hierarchical structure, the functions generated by infinitely-wide deep CNNs are too rich to be efficiently learnable in high dimension.

Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks

Discovering novel drug candidate molecules is one of the most fundamental and critical steps in drug development. Generative deep learning models, which create synthetic data given a probability distribution, have been developed with the purpose of picking completely new samples from a partially known space. Generative models offer high potential for designing de novo molecules; however, in order for them to be useful in real-life drug development pipelines, these models should be able to design target-specific molecules, which is the next step in this field. In this study, we propose DrugGEN, for the de novo design of drug candidate molecules that interact with selected target proteins. The proposed system represents compounds and protein structures as graphs and processes them via serially connected two generative adversarial networks comprising graph transformers. DrugGEN is trained using a large dataset of compounds from ChEMBL and target-specific bioactive molecules, to design effective and specific inhibitory molecules against the AKT1 protein, which has critical importance for developing treatments against various types of cancer. On fundamental benchmarks, DrugGEN models have either competitive or better performance against other methods. To assess the target-specific generation performance, we conducted further in silico analysis with molecular docking and deep learning-based bioactivity prediction. Results indicate that de novo molecules have high potential for interacting with the AKT1 protein structure in the level of its native ligand. DrugGEN can be used to design completely novel and effective target-specific drug candidate molecules for any druggable protein, given target features and a dataset of experimental bioactivities. Code base, datasets, results and trained models of DrugGEN are available at https://github.com/HUBioDataLab/DrugGEN

PepMLM: Target Sequence-Conditioned Generation of Peptide Binders via Masked Language Modeling

Target proteins that lack accessible binding pockets and conformational stability have posed increasing challenges for drug development. Induced proximity strategies, such as PROTACs and molecular glues, have thus gained attention as pharmacological alternatives, but still require small molecule docking at binding pockets for targeted protein degradation (TPD). The computational design of protein-based binders presents unique opportunities to access undruggable targets, but have often relied on stable 3D structures or predictions for effective binder generation. Recently, we have leveraged the expressive latent spaces of protein language models (pLMs) for the prioritization of peptide binders from sequence alone, which we have then fused to E3 ubiquitin ligase domains, creating a CRISPR-analogous TPD system for target proteins. However, our methods rely on training discriminator models for ranking heuristically or unconditionally-derived guide peptides for their target binding capability. In this work, we introduce PepMLM, a purely target sequence-conditioned de novo generator of linear peptide binders. By employing a novel masking strategy that uniquely positions cognate peptide sequences at the terminus of target protein sequences, PepMLM tasks the state-of-the-art ESM-2 pLM to fully reconstruct the binder region, achieving low perplexities matching or improving upon previously-validated peptide-protein sequence pairs. After successful in silico benchmarking with AlphaFold-Multimer, we experimentally verify PepMLM's efficacy via fusion of model-derived peptides to E3 ubiquitin ligase domains, demonstrating endogenous degradation of target substrates in cellular models. In total, PepMLM enables the generative design of candidate binders to any target protein, without the requirement of target structure, empowering downstream programmable proteome editing applications.

Target-based Surrogates for Stochastic Optimization

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

Dynamic Knowledge Routing Network For Target-Guided Open-Domain Conversation

Target-guided open-domain conversation aims to proactively and naturally guide a dialogue agent or human to achieve specific goals, topics or keywords during open-ended conversations. Existing methods mainly rely on single-turn datadriven learning and simple target-guided strategy without considering semantic or factual knowledge relations among candidate topics/keywords. This results in poor transition smoothness and low success rate. In this work, we adopt a structured approach that controls the intended content of system responses by introducing coarse-grained keywords, attains smooth conversation transition through turn-level supervised learning and knowledge relations between candidate keywords, and drives an conversation towards an specified target with discourse-level guiding strategy. Specially, we propose a novel dynamic knowledge routing network (DKRN) which considers semantic knowledge relations among candidate keywords for accurate next topic prediction of next discourse. With the help of more accurate keyword prediction, our keyword-augmented response retrieval module can achieve better retrieval performance and more meaningful conversations. Besides, we also propose a novel dual discourse-level target-guided strategy to guide conversations to reach their goals smoothly with higher success rate. Furthermore, to push the research boundary of target-guided open-domain conversation to match real-world scenarios better, we introduce a new large-scale Chinese target-guided open-domain conversation dataset (more than 900K conversations) crawled from Sina Weibo. Quantitative and human evaluations show our method can produce meaningful and effective target-guided conversations, significantly improving over other state-of-the-art methods by more than 20% in success rate and more than 0.6 in average smoothness score.

Zero-Shot Scene Understanding for Automatic Target Recognition Using Large Vision-Language Models

Automatic target recognition (ATR) plays a critical role in tasks such as navigation and surveillance, where safety and accuracy are paramount. In extreme use cases, such as military applications, these factors are often challenged due to the presence of unknown terrains, environmental conditions, and novel object categories. Current object detectors, including open-world detectors, lack the ability to confidently recognize novel objects or operate in unknown environments, as they have not been exposed to these new conditions. However, Large Vision-Language Models (LVLMs) exhibit emergent properties that enable them to recognize objects in varying conditions in a zero-shot manner. Despite this, LVLMs struggle to localize objects effectively within a scene. To address these limitations, we propose a novel pipeline that combines the detection capabilities of open-world detectors with the recognition confidence of LVLMs, creating a robust system for zero-shot ATR of novel classes and unknown domains. In this study, we compare the performance of various LVLMs for recognizing military vehicles, which are often underrepresented in training datasets. Additionally, we examine the impact of factors such as distance range, modality, and prompting methods on the recognition performance, providing insights into the development of more reliable ATR systems for novel conditions and classes.

Look Once to Hear: Target Speech Hearing with Noisy Examples

In crowded settings, the human brain can focus on speech from a target speaker, given prior knowledge of how they sound. We introduce a novel intelligent hearable system that achieves this capability, enabling target speech hearing to ignore all interfering speech and noise, but the target speaker. A naive approach is to require a clean speech example to enroll the target speaker. This is however not well aligned with the hearable application domain since obtaining a clean example is challenging in real world scenarios, creating a unique user interface problem. We present the first enrollment interface where the wearer looks at the target speaker for a few seconds to capture a single, short, highly noisy, binaural example of the target speaker. This noisy example is used for enrollment and subsequent speech extraction in the presence of interfering speakers and noise. Our system achieves a signal quality improvement of 7.01 dB using less than 5 seconds of noisy enrollment audio and can process 8 ms of audio chunks in 6.24 ms on an embedded CPU. Our user studies demonstrate generalization to real-world static and mobile speakers in previously unseen indoor and outdoor multipath environments. Finally, our enrollment interface for noisy examples does not cause performance degradation compared to clean examples, while being convenient and user-friendly. Taking a step back, this paper takes an important step towards enhancing the human auditory perception with artificial intelligence. We provide code and data at: https://github.com/vb000/LookOnceToHear.

Unraveling Complex Data Diversity in Underwater Acoustic Target Recognition through Convolution-based Mixture of Experts

Underwater acoustic target recognition is a difficult task owing to the intricate nature of underwater acoustic signals. The complex underwater environments, unpredictable transmission channels, and dynamic motion states greatly impact the real-world underwater acoustic signals, and may even obscure the intrinsic characteristics related to targets. Consequently, the data distribution of underwater acoustic signals exhibits high intra-class diversity, thereby compromising the accuracy and robustness of recognition systems.To address these issues, this work proposes a convolution-based mixture of experts (CMoE) that recognizes underwater targets in a fine-grained manner. The proposed technique introduces multiple expert layers as independent learners, along with a routing layer that determines the assignment of experts according to the characteristics of inputs. This design allows the model to utilize independent parameter spaces, facilitating the learning of complex underwater signals with high intra-class diversity. Furthermore, this work optimizes the CMoE structure by balancing regularization and an optional residual module. To validate the efficacy of our proposed techniques, we conducted detailed experiments and visualization analyses on three underwater acoustic databases across several acoustic features. The experimental results demonstrate that our CMoE consistently achieves significant performance improvements, delivering superior recognition accuracy when compared to existing advanced methods.

Exploiting Contextual Target Attributes for Target Sentiment Classification

Existing PTLM-based models for TSC can be categorized into two groups: 1) fine-tuning-based models that adopt PTLM as the context encoder; 2) prompting-based models that transfer the classification task to the text/word generation task. In this paper, we present a new perspective of leveraging PTLM for TSC: simultaneously leveraging the merits of both language modeling and explicit target-context interactions via contextual target attributes. Specifically, we design the domain- and target-constrained cloze test, which can leverage the PTLMs' strong language modeling ability to generate the given target's attributes pertaining to the review context. The attributes contain the background and property information of the target, which can help to enrich the semantics of the review context and the target. To exploit the attributes for tackling TSC, we first construct a heterogeneous information graph by treating the attributes as nodes and combining them with (1) the syntax graph automatically produced by the off-the-shelf dependency parser and (2) the semantics graph of the review context, which is derived from the self-attention mechanism. Then we propose a heterogeneous information gated graph convolutional network to model the interactions among the attribute information, the syntactic information, and the contextual information. The experimental results on three benchmark datasets demonstrate the superiority of our model, which achieves new state-of-the-art performance.

TOP-Training: Target-Oriented Pretraining for Medical Extractive Question Answering

We study extractive question-answering in the medical domain (Medical-EQA). This problem has two main challenges: (i) domain specificity, as most AI models lack necessary domain knowledge, and (ii) extraction-based answering style, which restricts most autoregressive LLMs due to potential hallucinations. To handle those challenges, we propose TOP-Training, a target-oriented pre-training paradigm that stands out among all domain adaptation techniques with two desirable features: (i) TOP-Training moves one step further than popular domain-oriented fine-tuning since it not only moves closer to the target domain, but also familiarizes itself with the target dataset, and (ii) it does not assume the existence of a large set of unlabeled instances from the target domain. Specifically, for a target Medical-EQA dataset, we extract its entities and leverage large language models (LLMs) to generate synthetic texts containing those entities; we then demonstrate that pretraining on this synthetic text data yields better performance on the target Medical-EQA benchmarks. Overall, our contributions are threefold: (i) TOP-Training, a new pretraining technique to effectively adapt LLMs to better solve a target problem, (ii) TOP-Training has a wide application scope because it does not require the target problem to have a large set of unlabeled data, and (iii) our experiments highlight the limitations of autoregressive LLMs, emphasizing TOP-Training as a means to unlock the true potential of bidirectional LLMs.

Monte Carlo Linear Clustering with Single-Point Supervision is Enough for Infrared Small Target Detection

Single-frame infrared small target (SIRST) detection aims at separating small targets from clutter backgrounds on infrared images. Recently, deep learning based methods have achieved promising performance on SIRST detection, but at the cost of a large amount of training data with expensive pixel-level annotations. To reduce the annotation burden, we propose the first method to achieve SIRST detection with single-point supervision. The core idea of this work is to recover the per-pixel mask of each target from the given single point label by using clustering approaches, which looks simple but is indeed challenging since targets are always insalient and accompanied with background clutters. To handle this issue, we introduce randomness to the clustering process by adding noise to the input images, and then obtain much more reliable pseudo masks by averaging the clustered results. Thanks to this "Monte Carlo" clustering approach, our method can accurately recover pseudo masks and thus turn arbitrary fully supervised SIRST detection networks into weakly supervised ones with only single point annotation. Experiments on four datasets demonstrate that our method can be applied to existing SIRST detection networks to achieve comparable performance with their fully supervised counterparts, which reveals that single-point supervision is strong enough for SIRST detection. Our code will be available at: https://github.com/YeRen123455/SIRST-Single-Point-Supervision.

SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction

Accurate prediction of Drug-Target Affinity (DTA) is of vital importance in early-stage drug discovery, facilitating the identification of drugs that can effectively interact with specific targets and regulate their activities. While wet experiments remain the most reliable method, they are time-consuming and resource-intensive, resulting in limited data availability that poses challenges for deep learning approaches. Existing methods have primarily focused on developing techniques based on the available DTA data, without adequately addressing the data scarcity issue. To overcome this challenge, we present the SSM-DTA framework, which incorporates three simple yet highly effective strategies: (1) A multi-task training approach that combines DTA prediction with masked language modeling (MLM) using paired drug-target data. (2) A semi-supervised training method that leverages large-scale unpaired molecules and proteins to enhance drug and target representations. This approach differs from previous methods that only employed molecules or proteins in pre-training. (3) The integration of a lightweight cross-attention module to improve the interaction between drugs and targets, further enhancing prediction accuracy. Through extensive experiments on benchmark datasets such as BindingDB, DAVIS, and KIBA, we demonstrate the superior performance of our framework. Additionally, we conduct case studies on specific drug-target binding activities, virtual screening experiments, drug feature visualizations, and real-world applications, all of which showcase the significant potential of our work. In conclusion, our proposed SSM-DTA framework addresses the data limitation challenge in DTA prediction and yields promising results, paving the way for more efficient and accurate drug discovery processes. Our code is available at https://github.com/QizhiPei/SSM-DTA{Github}.

Adaptive Safety Evaluation for Connected and Automated Vehicles with Sparse Control Variates

Safety performance evaluation is critical for developing and deploying connected and automated vehicles (CAVs). One prevailing way is to design testing scenarios using prior knowledge of CAVs, test CAVs in these scenarios, and then evaluate their safety performances. However, significant differences between CAVs and prior knowledge could severely reduce the evaluation efficiency. Towards addressing this issue, most existing studies focus on the adaptive design of testing scenarios during the CAV testing process, but so far they cannot be applied to high-dimensional scenarios. In this paper, we focus on the adaptive safety performance evaluation by leveraging the testing results, after the CAV testing process. It can significantly improve the evaluation efficiency and be applied to high-dimensional scenarios. Specifically, instead of directly evaluating the unknown quantity (e.g., crash rates) of CAV safety performances, we evaluate the differences between the unknown quantity and known quantity (i.e., control variates). By leveraging the testing results, the control variates could be well designed and optimized such that the differences are close to zero, so the evaluation variance could be dramatically reduced for different CAVs. To handle the high-dimensional scenarios, we propose the sparse control variates method, where the control variates are designed only for the sparse and critical variables of scenarios. According to the number of critical variables in each scenario, the control variates are stratified into strata and optimized within each stratum using multiple linear regression techniques. We justify the proposed method's effectiveness by rigorous theoretical analysis and empirical study of high-dimensional overtaking scenarios.

Invisible Reflections: Leveraging Infrared Laser Reflections to Target Traffic Sign Perception

All vehicles must follow the rules that govern traffic behavior, regardless of whether the vehicles are human-driven or Connected Autonomous Vehicles (CAVs). Road signs indicate locally active rules, such as speed limits and requirements to yield or stop. Recent research has demonstrated attacks, such as adding stickers or projected colored patches to signs, that cause CAV misinterpretation, resulting in potential safety issues. Humans can see and potentially defend against these attacks. But humans can not detect what they can not observe. We have developed an effective physical-world attack that leverages the sensitivity of filterless image sensors and the properties of Infrared Laser Reflections (ILRs), which are invisible to humans. The attack is designed to affect CAV cameras and perception, undermining traffic sign recognition by inducing misclassification. In this work, we formulate the threat model and requirements for an ILR-based traffic sign perception attack to succeed. We evaluate the effectiveness of the ILR attack with real-world experiments against two major traffic sign recognition architectures on four IR-sensitive cameras. Our black-box optimization methodology allows the attack to achieve up to a 100% attack success rate in indoor, static scenarios and a >80.5% attack success rate in our outdoor, moving vehicle scenarios. We find the latest state-of-the-art certifiable defense is ineffective against ILR attacks as it mis-certifies >33.5% of cases. To address this, we propose a detection strategy based on the physical properties of IR laser reflections which can detect 96% of ILR attacks.

An inorganic ABX3 perovskite materials dataset for target property prediction and classification using machine learning

The reliability with Machine Learning (ML) techniques in novel materials discovery often depend on the quality of the dataset, in addition to the relevant features used in describing the material. In this regard, the current study presents and validates a newly processed materials dataset that can be utilized for benchmark ML analysis, as it relates to the prediction and classification of deterministic target properties. Originally, the dataset was extracted from the Open Quantum Materials Database (OQMD) and contains a robust 16,323 samples of ABX3 inorganic perovskite structures. The dataset is tabular in form and is preprocessed to include sixty-one generalized input features that broadly describes the physicochemical, stability/geometrical, and Density Functional Theory (DFT) target properties associated with the elemental ionic sites in a three-dimensional ABX3 polyhedral. For validation, four different ML models are employed to predict three distinctive target properties, namely: formation energy, energy band gap, and crystal system. On experimentation, the best accuracy measurements are reported at 0.013 eV/atom MAE, 0.216 eV MAE, and 85% F1, corresponding to the formation energy prediction, band gap prediction and crystal system multi-classification, respectively. Moreover, the realized results are compared with previous literature and as such, affirms the resourcefulness of the current dataset for future benchmark materials analysis via ML techniques. The preprocessed dataset and source codes are openly available to download from github.com/chenebuah/ML_abx3_dataset.

DiCoW: Diarization-Conditioned Whisper for Target Speaker Automatic Speech Recognition

Speaker-attributed automatic speech recognition (ASR) in multi-speaker environments remains a significant challenge, particularly when systems conditioned on speaker embeddings fail to generalize to unseen speakers. In this work, we propose Diarization-Conditioned Whisper (DiCoW), a novel approach to target-speaker ASR that leverages speaker diarization outputs as conditioning information. DiCoW extends the pre-trained Whisper model by integrating diarization labels directly, eliminating reliance on speaker embeddings and reducing the need for extensive speaker-specific training data. Our method introduces frame-level diarization-dependent transformations (FDDT) and query-key biasing (QKb) techniques to refine the model's focus on target speakers while effectively handling overlapping speech. By leveraging diarization outputs as conditioning signals, DiCoW simplifies the workflow for multi-speaker ASR, improves generalization to unseen speakers and enables more reliable transcription in real-world multi-speaker recordings. Additionally, we explore the integration of a connectionist temporal classification (CTC) head to Whisper and demonstrate its ability to improve transcription efficiency through hybrid decoding. Notably, we show that our approach is not limited to Whisper; it also provides similar benefits when applied to the Branchformer model. We validate DiCoW on real-world datasets, including AMI and NOTSOFAR-1 from CHiME-8 challenge, as well as synthetic benchmarks such as Libri2Mix and LibriCSS, enabling direct comparisons with previous methods. Results demonstrate that DiCoW enhances the model's target-speaker ASR capabilities while maintaining Whisper's accuracy and robustness on single-speaker data.

Preference-Oriented Supervised Fine-Tuning: Favoring Target Model Over Aligned Large Language Models

Alignment, endowing a pre-trained Large language model (LLM) with the ability to follow instructions, is crucial for its real-world applications. Conventional supervised fine-tuning (SFT) methods formalize it as causal language modeling typically with a cross-entropy objective, requiring a large amount of high-quality instruction-response pairs. However, the quality of widely used SFT datasets can not be guaranteed due to the high cost and intensive labor for the creation and maintenance in practice. To overcome the limitations associated with the quality of SFT datasets, we introduce a novel preference-oriented supervised fine-tuning approach, namely PoFT. The intuition is to boost SFT by imposing a particular preference: favoring the target model over aligned LLMs on the same SFT data. This preference encourages the target model to predict a higher likelihood than that predicted by the aligned LLMs, incorporating assessment information on data quality (i.e., predicted likelihood by the aligned LLMs) into the training process. Extensive experiments are conducted, and the results validate the effectiveness of the proposed method. PoFT achieves stable and consistent improvements over the SFT baselines across different training datasets and base models. Moreover, we prove that PoFT can be integrated with existing SFT data filtering methods to achieve better performance, and further improved by following preference optimization procedures, such as DPO.

Vocabulary Expansion of Chat Models with Unlabeled Target Language Data

Chat models (i.e. language models trained to follow instructions through conversation with humans) outperform base models (i.e. trained solely on unlabeled data) in both conversation and general task-solving abilities. These models are generally English-centric and require further adaptation for languages that are underrepresented in or absent from their training data. A common technique for adapting base models is to extend the model's vocabulary with target language tokens, i.e. vocabulary expansion (VE), and then continually pre-train it on language-specific data. Using chat data is ideal for chat model adaptation, but often, either this does not exist or is costly to construct. Alternatively, adapting chat models with unlabeled data is a possible solution, but it could result in catastrophic forgetting. In this paper, we investigate the impact of using unlabeled target language data for VE on chat models for the first time. We first show that off-the-shelf VE generally performs well across target language tasks and models in 71% of cases, though it underperforms in scenarios where source chat models are already strong. To further improve adapted models, we propose post-hoc techniques that inject information from the source model without requiring any further training. Experiments reveal the effectiveness of our methods, helping the adapted models to achieve performance improvements in 87% of cases.

Can We Evaluate Domain Adaptation Models Without Target-Domain Labels? A Metric for Unsupervised Evaluation of Domain Adaptation

Unsupervised domain adaptation (UDA) involves adapting a model trained on a label-rich source domain to an unlabeled target domain. However, in real-world scenarios, the absence of target-domain labels makes it challenging to evaluate the performance of deep models after UDA. Additionally, prevailing UDA methods typically rely on adversarial training and self-training, which could lead to model degeneration and negative transfer, further exacerbating the evaluation problem. In this paper, we propose a novel metric called the Transfer Score to address these issues. The transfer score enables the unsupervised evaluation of domain adaptation models by assessing the spatial uniformity of the classifier via model parameters, as well as the transferability and discriminability of the feature space. Based on unsupervised evaluation using our metric, we achieve three goals: (1) selecting the most suitable UDA method from a range of available options, (2) optimizing hyperparameters of UDA models to prevent model degeneration, and (3) identifying the epoch at which the adapted model performs optimally. Our work bridges the gap between UDA research and practical UDA evaluation, enabling a realistic assessment of UDA model performance. We validate the effectiveness of our metric through extensive empirical studies conducted on various public datasets. The results demonstrate the utility of the transfer score in evaluating UDA models and its potential to enhance the overall efficacy of UDA techniques.

Adapting Off-the-Shelf Source Segmenter for Target Medical Image Segmentation

Unsupervised domain adaptation (UDA) aims to transfer knowledge learned from a labeled source domain to an unlabeled and unseen target domain, which is usually trained on data from both domains. Access to the source domain data at the adaptation stage, however, is often limited, due to data storage or privacy issues. To alleviate this, in this work, we target source free UDA for segmentation, and propose to adapt an ``off-the-shelf" segmentation model pre-trained in the source domain to the target domain, with an adaptive batch-wise normalization statistics adaptation framework. Specifically, the domain-specific low-order batch statistics, i.e., mean and variance, are gradually adapted with an exponential momentum decay scheme, while the consistency of domain shareable high-order batch statistics, i.e., scaling and shifting parameters, is explicitly enforced by our optimization objective. The transferability of each channel is adaptively measured first from which to balance the contribution of each channel. Moreover, the proposed source free UDA framework is orthogonal to unsupervised learning methods, e.g., self-entropy minimization, which can thus be simply added on top of our framework. Extensive experiments on the BraTS 2018 database show that our source free UDA framework outperformed existing source-relaxed UDA methods for the cross-subtype UDA segmentation task and yielded comparable results for the cross-modality UDA segmentation task, compared with a supervised UDA methods with the source data.

ProxylessNAS: Direct Neural Architecture Search on Target Task and Hardware

Neural architecture search (NAS) has a great impact by automatically designing effective neural network architectures. However, the prohibitive computational demand of conventional NAS algorithms (e.g. 10^4 GPU hours) makes it difficult to directly search the architectures on large-scale tasks (e.g. ImageNet). Differentiable NAS can reduce the cost of GPU hours via a continuous representation of network architecture but suffers from the high GPU memory consumption issue (grow linearly w.r.t. candidate set size). As a result, they need to utilize~proxy tasks, such as training on a smaller dataset, or learning with only a few blocks, or training just for a few epochs. These architectures optimized on proxy tasks are not guaranteed to be optimal on the target task. In this paper, we present ProxylessNAS that can directly learn the architectures for large-scale target tasks and target hardware platforms. We address the high memory consumption issue of differentiable NAS and reduce the computational cost (GPU hours and GPU memory) to the same level of regular training while still allowing a large candidate set. Experiments on CIFAR-10 and ImageNet demonstrate the effectiveness of directness and specialization. On CIFAR-10, our model achieves 2.08\% test error with only 5.7M parameters, better than the previous state-of-the-art architecture AmoebaNet-B, while using 6times fewer parameters. On ImageNet, our model achieves 3.1\% better top-1 accuracy than MobileNetV2, while being 1.2times faster with measured GPU latency. We also apply ProxylessNAS to specialize neural architectures for hardware with direct hardware metrics (e.g. latency) and provide insights for efficient CNN architecture design.

K-HATERS: A Hate Speech Detection Corpus in Korean with Target-Specific Ratings

Numerous datasets have been proposed to combat the spread of online hate. Despite these efforts, a majority of these resources are English-centric, primarily focusing on overt forms of hate. This research gap calls for developing high-quality corpora in diverse languages that also encapsulate more subtle hate expressions. This study introduces K-HATERS, a new corpus for hate speech detection in Korean, comprising approximately 192K news comments with target-specific offensiveness ratings. This resource is the largest offensive language corpus in Korean and is the first to offer target-specific ratings on a three-point Likert scale, enabling the detection of hate expressions in Korean across varying degrees of offensiveness. We conduct experiments showing the effectiveness of the proposed corpus, including a comparison with existing datasets. Additionally, to address potential noise and bias in human annotations, we explore a novel idea of adopting the Cognitive Reflection Test, which is widely used in social science for assessing an individual's cognitive ability, as a proxy of labeling quality. Findings indicate that annotations from individuals with the lowest test scores tend to yield detection models that make biased predictions toward specific target groups and are less accurate. This study contributes to the NLP research on hate speech detection and resource construction. The code and dataset can be accessed at https://github.com/ssu-humane/K-HATERS.